1-[4-[[4-(3-methylphenyl)carbonyl-1,4-diazepan-1-yl]sulfonyl]phenyl]ethanone

Systemtic Name: 1-[4-[[4-(3-methylphenyl)carbonyl-1,4-diazepan-1-yl]sulfonyl]phenyl]ethanone Openeye Name: 1-[4-[[4-(3-methylbenzoyl)-1,4-diazepan-1-yl]sulfonyl]phenyl]ethanone CAS Name: 1-[4-[[4-[(3-methylphenyl)-oxomethyl]-1,4-diazepan-1-yl]sulfonyl]phenyl]ethanone IUPAC Name: 1-[4-[[4-(3-methylbenzoyl)-1,4-diazepan-1-yl]sulfonyl]phenyl]ethanone Traditional Name: 1-[4-[(4-m-toluoyl-1,4-diazepan-1-yl)sulfonyl]phenyl]ethanone Formula: C21H24N2O4S MolecularWeight: 400.49126

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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