N-[[4-(azepan-1-ylcarbonyl)phenyl]methyl]-N-(5-chloranyl-2-methyl-phenyl)benzenesulfonamide

Systemtic Name: N-[[4-(azepan-1-ylcarbonyl)phenyl]methyl]-N-(5-chloranyl-2-methyl-phenyl)benzenesulfonamide Openeye Name: N-[[4-(azepane-1-carbonyl)phenyl]methyl]-N-(5-chloro-2-methyl-phenyl)benzenesulfonamide CAS Name: N-[[4-[1-azepanyl(oxo)methyl]phenyl]methyl]-N-(5-chloro-2-methylphenyl)benzenesulfonamide IUPAC Name: N-[[4-(azepane-1-carbonyl)phenyl]methyl]-N-(5-chloro-2-methylphenyl)benzenesulfonamide Traditional Name: N-[4-(azepane-1-carbonyl)benzyl]-N-(5-chloro-2-methyl-phenyl)benzenesulfonamide Formula: C27H29ClN2O3S MolecularWeight: 497.04876

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N(CC2=CC=C(C=C2)C(=O)N3CCCCCC3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N(CC2=CC=C(C=C2)C(=O)N3CCCCCC3)S(=O)(=O)C4=CC=CC=C4

InChI

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