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

Systemtic Name: 3-(azepan-1-ylsulfonyl)-4-chloranyl-N-methyl-N-[(4-methylphenyl)methyl]benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-methyl-N-(p-tolylmethyl)benzamide CAS Name: 3-(1-azepanylsulfonyl)-4-chloro-N-methyl-N-[(4-methylphenyl)methyl]benzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-methyl-N-[(4-methylphenyl)methyl]benzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-methyl-N-(4-methylbenzyl)benzamide Formula: C22H27ClN2O3S MolecularWeight: 434.97938

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27ClN2O3S/c1-17-7-9-18(10-8-17)16-24(2)22(26)19-11-12-20(23)21(15-19)29(27,28)25-13-5-3-4-6-14-25/h7-12,15H,3-6,13-14,16H2,1-2H3