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

Systemtic Name: 4-(azepan-1-ylsulfonyl)-N-[(2-methylphenyl)methyl]benzamide Openeye Name: 4-(azepan-1-ylsulfonyl)-N-(o-tolylmethyl)benzamide CAS Name: 4-(1-azepanylsulfonyl)-N-[(2-methylphenyl)methyl]benzamide IUPAC Name: 4-(azepan-1-ylsulfonyl)-N-[(2-methylphenyl)methyl]benzamide Traditional Name: 4-(azepan-1-ylsulfonyl)-N-(2-methylbenzyl)benzamide Formula: C21H26N2O3S MolecularWeight: 386.50774

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CNC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=CC=CC=C1CNC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C21H26N2O3S/c1-17-8-4-5-9-19(17)16-22-21(24)18-10-12-20(13-11-18)27(25,26)23-14-6-2-3-7-15-23/h4-5,8-13H,2-3,6-7,14-16H2,1H3,(H,22,24)