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

Systemtic Name: 3-(azepan-1-ylsulfonyl)-N-[1-(4-methylphenyl)ethyl]benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-N-[1-(p-tolyl)ethyl]benzamide CAS Name: 3-(1-azepanylsulfonyl)-N-[1-(4-methylphenyl)ethyl]benzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-N-[1-(4-methylphenyl)ethyl]benzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-N-[1-(p-tolyl)ethyl]benzamide Formula: C22H28N2O3S MolecularWeight: 400.53432

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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