5-[3-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-3-oxidanylidene-propyl]-4,6-dimethyl-2-oxidanylidene-1H-pyridine-3-carbonitrile

Systemtic Name: 5-[3-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-3-oxidanylidene-propyl]-4,6-dimethyl-2-oxidanylidene-1H-pyridine-3-carbonitrile Openeye Name: 5-[3-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-3-oxo-propyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carbonitrile CAS Name: 5-[3-[4-(3-chlorophenyl)sulfonyl-1-piperazinyl]-3-oxopropyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carbonitrile IUPAC Name: 5-[3-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-3-oxopropyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carbonitrile Traditional Name: 5-[3-[4-(3-chlorophenyl)sulfonylpiperazino]-3-keto-propyl]-2-keto-4,6-dimethyl-1H-pyridine-3-carbonitrile Formula: C21H23ClN4O4S MolecularWeight: 462.94972

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)NC(=C1CCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC(=CC=C3)Cl)C)C#N

Isomeric SMILES

CC1=C(C(=O)NC(=C1CCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC(=CC=C3)Cl)C)C#N

InChI

InChI=1S/C21H23ClN4O4S/c1-14-18(15(2)24-21(28)19(14)13-23)6-7-20(27)25-8-10-26(11-9-25)31(29,30)17-5-3-4-16(22)12-17/h3-5,12H,6-11H2,1-2H3,(H,24,28)