4-[4-[2-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanylphenyl]carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 4-[4-[2-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanylphenyl]carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 4-[4-[2-(2-oxo-2-pyrrolidin-1-yl-ethyl)sulfanylbenzoyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 4-[[4-[oxo-[2-[[2-oxo-2-(1-pyrrolidinyl)ethyl]thio]phenyl]methyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 4-[4-[2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzoyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 4-[4-[2-[(2-keto-2-pyrrolidino-ethyl)thio]benzoyl]piperazino]sulfonylbenzonitrile Formula: C24H26N4O4S2 MolecularWeight: 498.61764

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)CSC2=CC=CC=C2C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C#N

Isomeric SMILES

C1CCN(C1)C(=O)CSC2=CC=CC=C2C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C24H26N4O4S2/c25-17-19-7-9-20(10-8-19)34(31,32)28-15-13-27(14-16-28)24(30)21-5-1-2-6-22(21)33-18-23(29)26-11-3-4-12-26/h1-2,5-10H,3-4,11-16,18H2