3-(azepan-1-ylsulfonyl)-4-chloranyl-N-[(4-methylphenyl)-phenyl-methyl]benzamide

Systemtic Name: 3-(azepan-1-ylsulfonyl)-4-chloranyl-N-[(4-methylphenyl)-phenyl-methyl]benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-[phenyl(p-tolyl)methyl]benzamide CAS Name: 3-(1-azepanylsulfonyl)-4-chloro-N-[(4-methylphenyl)-phenylmethyl]benzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-[(4-methylphenyl)-phenylmethyl]benzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-[phenyl(p-tolyl)methyl]benzamide Formula: C27H29ClN2O3S MolecularWeight: 497.04876

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C2=CC=CC=C2)NC(=O)C3=CC(=C(C=C3)Cl)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)C(C2=CC=CC=C2)NC(=O)C3=CC(=C(C=C3)Cl)S(=O)(=O)N4CCCCCC4

InChI

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