1-[3-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-3-oxidanylidene-propyl]cinnolin-4-one

Systemtic Name: 1-[3-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-3-oxidanylidene-propyl]cinnolin-4-one Openeye Name: 1-[3-oxo-3-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]propyl]cinnolin-4-one CAS Name: 1-[3-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-3-oxopropyl]-4-cinnolinone IUPAC Name: 1-[3-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-3-oxopropyl]cinnolin-4-one Traditional Name: 1-[3-keto-3-(4-tosyl-1,4-diazepan-1-yl)propyl]cinnolin-4-one Formula: C23H26N4O4S MolecularWeight: 454.54194

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)CCN3C4=CC=CC=C4C(=O)C=N3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)CCN3C4=CC=CC=C4C(=O)C=N3

InChI

InChI=1S/C23H26N4O4S/c1-18-7-9-19(10-8-18)32(30,31)26-13-4-12-25(15-16-26)23(29)11-14-27-21-6-3-2-5-20(21)22(28)17-24-27/h2-3,5-10,17H,4,11-16H2,1H3