3-(azepan-1-ylsulfonyl)-4-chloranyl-N-[(2-methylphenyl)-phenyl-methyl]benzamide

Systemtic Name: 3-(azepan-1-ylsulfonyl)-4-chloranyl-N-[(2-methylphenyl)-phenyl-methyl]benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-[o-tolyl(phenyl)methyl]benzamide CAS Name: 3-(1-azepanylsulfonyl)-4-chloro-N-[(2-methylphenyl)-phenylmethyl]benzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-[(2-methylphenyl)-phenylmethyl]benzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-[o-tolyl(phenyl)methyl]benzamide Formula: C27H29ClN2O3S MolecularWeight: 497.04876

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(C2=CC=CC=C2)NC(=O)C3=CC(=C(C=C3)Cl)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CC1=CC=CC=C1C(C2=CC=CC=C2)NC(=O)C3=CC(=C(C=C3)Cl)S(=O)(=O)N4CCCCCC4

InChI

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