Name: Name:benzyl 3a-[(chlorosulfonyl)methyl]-octahydro-1H-indole-1-carboxylate
Brand: Angene
SKU: AG01EIXR
Rating: 90 (10 reviews)

benzyl 3a-[(chlorosulfonyl)methyl]-octahydro-1H-indole-1-carboxylate

CAS No.:

2137547-80-7

Catalog Number:

AG01EIXR

Molecular Formula:

C17H22ClNO4S

Molecular Weight:

371.8789

Catalog Number:

AG01EIXR

Chemical Name:

benzyl 3a-[(chlorosulfonyl)methyl]-octahydro-1H-indole-1-carboxylate

CAS Number:

2137547-80-7

Molecular Formula:

C17H22ClNO4S

Molecular Weight:

371.8789

MDL Number:

MFCD31457252

IUPAC Name:

benzyl 3a-(chlorosulfonylmethyl)-3,4,5,6,7,7a-hexahydro-2H-indole-1-carboxylate

InChI:

InChI=1S/C17H22ClNO4S/c18-24(21,22)13-17-9-5-4-8-15(17)19(11-10-17)16(20)23-12-14-6-2-1-3-7-14/h1-3,6-7,15H,4-5,8-13H2

InChI Key:

QVHJFANBJXVBFQ-UHFFFAOYSA-N

SMILES:

O=C(N1CCC2(C1CCCC2)CS(=O)(=O)Cl)OCc1ccccc1

Complexity:

555

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

371.096g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

371.876g/mol

Monoisotopic Mass:

371.096g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

72.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.5