Name: Name:Benzenemethanamine, 5-chloro-2,3-dimethoxy-α-methyl-N-[2-(methylsulfonyl)-5-(1-piperazinyl)phenyl]-, monohydrochloride
Brand: Angene
SKU: AG01FNLR
Rating: 90 (10 reviews)

Benzenemethanamine, 5-chloro-2,3-dimethoxy-α-methyl-N-[2-(methylsulfonyl)-5-(1-piperazinyl)phenyl]-, monohydrochloride

CAS No.:

903580-39-2

Catalog Number:

AG01FNLR

Molecular Formula:

C21H29Cl2N3O4S

Molecular Weight:

490.4437

Catalog Number:

AG01FNLR

Chemical Name:

Benzenemethanamine, 5-chloro-2,3-dimethoxy-α-methyl-N-[2-(methylsulfonyl)-5-(1-piperazinyl)phenyl]-, monohydrochloride

CAS Number:

903580-39-2

Molecular Formula:

C21H29Cl2N3O4S

Molecular Weight:

490.4437

MDL Number:

MFCD19443668

IUPAC Name:

N-[1-(5-chloro-2,3-dimethoxyphenyl)ethyl]-2-methylsulfonyl-5-piperazin-1-ylaniline;hydrochloride

InChI:

InChI=1S/C21H28ClN3O4S.ClH/c1-14(17-11-15(22)12-19(28-2)21(17)29-3)24-18-13-16(25-9-7-23-8-10-25)5-6-20(18)30(4,26)27;/h5-6,11-14,23-24H,7-10H2,1-4H3;1H

InChI Key:

PILCQJJJAFRKHO-UHFFFAOYSA-N

SMILES:

COc1c(OC)cc(cc1C(Nc1cc(ccc1S(=O)(=O)C)N1CCNCC1)C)Cl.Cl

Complexity:

641

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

489.126g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

490.44g/mol

Monoisotopic Mass:

489.126g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

88.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count: