1-[2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-2-oxidanylidene-ethyl]cinnolin-4-one

Systemtic Name: 1-[2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-2-oxidanylidene-ethyl]cinnolin-4-one Openeye Name: 1-[2-oxo-2-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]ethyl]cinnolin-4-one CAS Name: 1-[2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-2-oxoethyl]-4-cinnolinone IUPAC Name: 1-[2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-2-oxoethyl]cinnolin-4-one Traditional Name: 1-[2-keto-2-(4-tosyl-1,4-diazepan-1-yl)ethyl]cinnolin-4-one Formula: C22H24N4O4S MolecularWeight: 440.51536

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)CN3C4=CC=CC=C4C(=O)C=N3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)CN3C4=CC=CC=C4C(=O)C=N3

InChI

InChI=1S/C22H24N4O4S/c1-17-7-9-18(10-8-17)31(29,30)25-12-4-11-24(13-14-25)22(28)16-26-20-6-3-2-5-19(20)21(27)15-23-26/h2-3,5-10,15H,4,11-14,16H2,1H3