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

Systemtic Name: 3-(azepan-1-ylsulfonyl)-4-chloranyl-N-[(4-methylphenyl)methyl]benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-(p-tolylmethyl)benzamide CAS Name: 3-(1-azepanylsulfonyl)-4-chloro-N-[(4-methylphenyl)methyl]benzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-[(4-methylphenyl)methyl]benzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-(4-methylbenzyl)benzamide Formula: C21H25ClN2O3S MolecularWeight: 420.9528

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25ClN2O3S/c1-16-6-8-17(9-7-16)15-23-21(25)18-10-11-19(22)20(14-18)28(26,27)24-12-4-2-3-5-13-24/h6-11,14H,2-5,12-13,15H2,1H3,(H,23,25)