(4-methylphenyl)-[2-[(4-methylsulfonyl-1,4-diazepan-1-yl)carbonyl]phenyl]methanone

Systemtic Name: (4-methylphenyl)-[2-[(4-methylsulfonyl-1,4-diazepan-1-yl)carbonyl]phenyl]methanone Openeye Name: [2-(4-methylsulfonyl-1,4-diazepane-1-carbonyl)phenyl]-(p-tolyl)methanone CAS Name: (4-methylphenyl)-[2-[(4-methylsulfonyl-1,4-diazepan-1-yl)-oxomethyl]phenyl]methanone IUPAC Name: (4-methylphenyl)-[2-(4-methylsulfonyl-1,4-diazepane-1-carbonyl)phenyl]methanone Traditional Name: [2-(4-mesyl-1,4-diazepane-1-carbonyl)phenyl]-(p-tolyl)methanone Formula: C21H24N2O4S MolecularWeight: 400.49126

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C2=CC=CC=C2C(=O)N3CCCN(CC3)S(=O)(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C2=CC=CC=C2C(=O)N3CCCN(CC3)S(=O)(=O)C

InChI

InChI=1S/C21H24N2O4S/c1-16-8-10-17(11-9-16)20(24)18-6-3-4-7-19(18)21(25)22-12-5-13-23(15-14-22)28(2,26)27/h3-4,6-11H,5,12-15H2,1-2H3