5-(azepan-1-ylsulfonyl)-2-methyl-N-[(2-methylphenyl)-phenyl-methyl]benzamide

Systemtic Name: 5-(azepan-1-ylsulfonyl)-2-methyl-N-[(2-methylphenyl)-phenyl-methyl]benzamide Openeye Name: 5-(azepan-1-ylsulfonyl)-2-methyl-N-[o-tolyl(phenyl)methyl]benzamide CAS Name: 5-(1-azepanylsulfonyl)-2-methyl-N-[(2-methylphenyl)-phenylmethyl]benzamide IUPAC Name: 5-(azepan-1-ylsulfonyl)-2-methyl-N-[(2-methylphenyl)-phenylmethyl]benzamide Traditional Name: 5-(azepan-1-ylsulfonyl)-2-methyl-N-[o-tolyl(phenyl)methyl]benzamide Formula: C28H32N2O3S MolecularWeight: 476.63028

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)C(=O)NC(C3=CC=CC=C3)C4=CC=CC=C4C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)C(=O)NC(C3=CC=CC=C3)C4=CC=CC=C4C

InChI

InChI=1S/C28H32N2O3S/c1-21-12-8-9-15-25(21)27(23-13-6-5-7-14-23)29-28(31)26-20-24(17-16-22(26)2)34(32,33)30-18-10-3-4-11-19-30/h5-9,12-17,20,27H,3-4,10-11,18-19H2,1-2H3,(H,29,31)