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

Systemtic Name: 3-(azepan-1-ylsulfonyl)-N-[(4-methylphenyl)methyl]benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-N-(p-tolylmethyl)benzamide CAS Name: 3-(1-azepanylsulfonyl)-N-[(4-methylphenyl)methyl]benzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-N-[(4-methylphenyl)methyl]benzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-N-(4-methylbenzyl)benzamide Formula: C21H26N2O3S MolecularWeight: 386.50774

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C21H26N2O3S/c1-17-9-11-18(12-10-17)16-22-21(24)19-7-6-8-20(15-19)27(25,26)23-13-4-2-3-5-14-23/h6-12,15H,2-5,13-14,16H2,1H3,(H,22,24)