2-[4-[1-(2-chlorophenyl)-5-oxidanylidene-pyrrolidin-3-yl]carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-[1-(2-chlorophenyl)-5-oxidanylidene-pyrrolidin-3-yl]carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[1-(2-chlorophenyl)-5-oxo-pyrrolidine-3-carbonyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[[1-(2-chlorophenyl)-5-oxo-3-pyrrolidinyl]-oxomethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[1-(2-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[1-(2-chlorophenyl)-5-keto-pyrrolidine-3-carbonyl]piperazino]sulfonylbenzonitrile Formula: C22H21ClN4O4S MolecularWeight: 472.94454

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2CC(=O)N(C2)C3=CC=CC=C3Cl)S(=O)(=O)C4=CC=CC=C4C#N

Isomeric SMILES

C1CN(CCN1C(=O)C2CC(=O)N(C2)C3=CC=CC=C3Cl)S(=O)(=O)C4=CC=CC=C4C#N

InChI

InChI=1S/C22H21ClN4O4S/c23-18-6-2-3-7-19(18)27-15-17(13-21(27)28)22(29)25-9-11-26(12-10-25)32(30,31)20-8-4-1-5-16(20)14-24/h1-8,17H,9-13,15H2