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

Systemtic Name: 5-(azepan-1-ylsulfonyl)-2-methyl-N-[(4-methylphenyl)methyl]benzamide Openeye Name: 5-(azepan-1-ylsulfonyl)-2-methyl-N-(p-tolylmethyl)benzamide CAS Name: 5-(1-azepanylsulfonyl)-2-methyl-N-[(4-methylphenyl)methyl]benzamide IUPAC Name: 5-(azepan-1-ylsulfonyl)-2-methyl-N-[(4-methylphenyl)methyl]benzamide Traditional Name: 5-(azepan-1-ylsulfonyl)-2-methyl-N-(4-methylbenzyl)benzamide Formula: C22H28N2O3S MolecularWeight: 400.53432

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O3S/c1-17-7-10-19(11-8-17)16-23-22(25)21-15-20(12-9-18(21)2)28(26,27)24-13-5-3-4-6-14-24/h7-12,15H,3-6,13-14,16H2,1-2H3,(H,23,25)