N-[2-(azepan-1-ylcarbonyl)phenyl]-N-[(4-chlorophenyl)methyl]-4-methyl-benzenesulfonamide

Systemtic Name: N-[2-(azepan-1-ylcarbonyl)phenyl]-N-[(4-chlorophenyl)methyl]-4-methyl-benzenesulfonamide Openeye Name: N-[2-(azepane-1-carbonyl)phenyl]-N-[(4-chlorophenyl)methyl]-4-methyl-benzenesulfonamide CAS Name: N-[2-[1-azepanyl(oxo)methyl]phenyl]-N-[(4-chlorophenyl)methyl]-4-methylbenzenesulfonamide IUPAC Name: N-[2-(azepane-1-carbonyl)phenyl]-N-[(4-chlorophenyl)methyl]-4-methylbenzenesulfonamide Traditional Name: N-[2-(azepane-1-carbonyl)phenyl]-N-(4-chlorobenzyl)-4-methyl-benzenesulfonamide Formula: C27H29ClN2O3S MolecularWeight: 497.04876

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=C(C=C2)Cl)C3=CC=CC=C3C(=O)N4CCCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=C(C=C2)Cl)C3=CC=CC=C3C(=O)N4CCCCCC4

InChI

InChI=1S/C27H29ClN2O3S/c1-21-10-16-24(17-11-21)34(32,33)30(20-22-12-14-23(28)15-13-22)26-9-5-4-8-25(26)27(31)29-18-6-2-3-7-19-29/h4-5,8-17H,2-3,6-7,18-20H2,1H3