4-(azepan-1-ylsulfonyl)-N-[(2-chlorophenyl)methyl]-N-(pyridin-3-ylmethyl)benzenesulfonamide

Systemtic Name: 4-(azepan-1-ylsulfonyl)-N-[(2-chlorophenyl)methyl]-N-(pyridin-3-ylmethyl)benzenesulfonamide Openeye Name: 4-(azepan-1-ylsulfonyl)-N-[(2-chlorophenyl)methyl]-N-(3-pyridylmethyl)benzenesulfonamide CAS Name: 4-(1-azepanylsulfonyl)-N-[(2-chlorophenyl)methyl]-N-(3-pyridinylmethyl)benzenesulfonamide IUPAC Name: 4-(azepan-1-ylsulfonyl)-N-[(2-chlorophenyl)methyl]-N-(pyridin-3-ylmethyl)benzenesulfonamide Traditional Name: 4-(azepan-1-ylsulfonyl)-N-(2-chlorobenzyl)-N-(3-pyridylmethyl)benzenesulfonamide Formula: C25H28ClN3O4S2 MolecularWeight: 534.09052

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N(CC3=CN=CC=C3)CC4=CC=CC=C4Cl

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N(CC3=CN=CC=C3)CC4=CC=CC=C4Cl

InChI

InChI=1S/C25H28ClN3O4S2/c26-25-10-4-3-9-22(25)20-29(19-21-8-7-15-27-18-21)35(32,33)24-13-11-23(12-14-24)34(30,31)28-16-5-1-2-6-17-28/h3-4,7-15,18H,1-2,5-6,16-17,19-20H2