(3-methylphenyl)-[4-(phenylsulfonyl)-1,4-diazepan-1-yl]methanone

Systemtic Name: (3-methylphenyl)-[4-(phenylsulfonyl)-1,4-diazepan-1-yl]methanone Openeye Name: [4-(benzenesulfonyl)-1,4-diazepan-1-yl]-(m-tolyl)methanone CAS Name: [4-(benzenesulfonyl)-1,4-diazepan-1-yl]-(3-methylphenyl)methanone IUPAC Name: [4-(benzenesulfonyl)-1,4-diazepan-1-yl]-(3-methylphenyl)methanone Traditional Name: (4-besyl-1,4-diazepan-1-yl)-(m-tolyl)methanone Formula: C19H22N2O3S MolecularWeight: 358.45458

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)N2CCCN(CC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)N2CCCN(CC2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C19H22N2O3S/c1-16-7-5-8-17(15-16)19(22)20-11-6-12-21(14-13-20)25(23,24)18-9-3-2-4-10-18/h2-5,7-10,15H,6,11-14H2,1H3