Name: Name:3-((4-cyanophenyl)amino)propyl 4-methylbenzenesulfonate
Brand: Angene
SKU: AG01DFE7
Rating: 90 (10 reviews)

3-((4-cyanophenyl)amino)propyl 4-methylbenzenesulfonate

CAS No.:

335621-03-9

Catalog Number:

AG01DFE7

Molecular Formula:

C17H18N2O3S

Molecular Weight:

330.4014

Catalog Number:

AG01DFE7

Chemical Name:

3-((4-cyanophenyl)amino)propyl 4-methylbenzenesulfonate

CAS Number:

335621-03-9

Molecular Formula:

C17H18N2O3S

Molecular Weight:

330.4014

MDL Number:

MFCD26395290

IUPAC Name:

3-(4-cyanoanilino)propyl 4-methylbenzenesulfonate

InChI:

InChI=1S/C17H18N2O3S/c1-14-3-9-17(10-4-14)23(20,21)22-12-2-11-19-16-7-5-15(13-18)6-8-16/h3-10,19H,2,11-12H2,1H3

InChI Key:

DMKUNHJZZHMFFE-UHFFFAOYSA-N

SMILES:

N#Cc1ccc(cc1)NCCCOS(=O)(=O)c1ccc(cc1)C

Complexity:

490

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

330.104g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

330.402g/mol

Monoisotopic Mass:

330.104g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

87.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.3