2-[4-[(2-oxidanylidene-1H-quinolin-4-yl)carbonyl]piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-[(2-oxidanylidene-1H-quinolin-4-yl)carbonyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-(2-oxo-1H-quinoline-4-carbonyl)piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[oxo-(2-oxo-1H-quinolin-4-yl)methyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-(2-oxo-1H-quinoline-4-carbonyl)piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-(2-keto-1H-quinoline-4-carbonyl)piperazino]sulfonylbenzonitrile Formula: C21H18N4O4S MolecularWeight: 422.45702

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=CC(=O)NC3=CC=CC=C32)S(=O)(=O)C4=CC=CC=C4C#N

Isomeric SMILES

C1CN(CCN1C(=O)C2=CC(=O)NC3=CC=CC=C32)S(=O)(=O)C4=CC=CC=C4C#N

InChI

InChI=1S/C21H18N4O4S/c22-14-15-5-1-4-8-19(15)30(28,29)25-11-9-24(10-12-25)21(27)17-13-20(26)23-18-7-3-2-6-16(17)18/h1-8,13H,9-12H2,(H,23,26)