4-(azepan-1-ylsulfonyl)-N-(2-cyanoethyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide

Systemtic Name: 4-(azepan-1-ylsulfonyl)-N-(2-cyanoethyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide Openeye Name: 4-(azepan-1-ylsulfonyl)-N-(2-cyanoethyl)-N-(3-pyridylmethyl)benzenesulfonamide CAS Name: 4-(1-azepanylsulfonyl)-N-(2-cyanoethyl)-N-(3-pyridinylmethyl)benzenesulfonamide IUPAC Name: 4-(azepan-1-ylsulfonyl)-N-(2-cyanoethyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide Traditional Name: 4-(azepan-1-ylsulfonyl)-N-(2-cyanoethyl)-N-(3-pyridylmethyl)benzenesulfonamide Formula: C21H26N4O4S2 MolecularWeight: 462.58554

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N(CCC#N)CC3=CN=CC=C3

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N(CCC#N)CC3=CN=CC=C3

InChI

InChI=1S/C21H26N4O4S2/c22-12-6-16-25(18-19-7-5-13-23-17-19)31(28,29)21-10-8-20(9-11-21)30(26,27)24-14-3-1-2-4-15-24/h5,7-11,13,17H,1-4,6,14-16,18H2