3-[4-[2-(phenylsulfonyl)ethyl]-2-pyrrolidin-1-ylcarbonyl-piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 3-[4-[2-(phenylsulfonyl)ethyl]-2-pyrrolidin-1-ylcarbonyl-piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 3-[4-[2-(benzenesulfonyl)ethyl]-2-(pyrrolidine-1-carbonyl)piperazin-1-yl]sulfonylbenzonitrile CAS Name: 3-[[4-[2-(benzenesulfonyl)ethyl]-2-[oxo(1-pyrrolidinyl)methyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 3-[4-[2-(benzenesulfonyl)ethyl]-2-(pyrrolidine-1-carbonyl)piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 3-[4-(2-besylethyl)-2-(pyrrolidine-1-carbonyl)piperazino]sulfonylbenzonitrile Formula: C24H28N4O5S2 MolecularWeight: 516.63292

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2CN(CCN2S(=O)(=O)C3=CC=CC(=C3)C#N)CCS(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)C(=O)C2CN(CCN2S(=O)(=O)C3=CC=CC(=C3)C#N)CCS(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C24H28N4O5S2/c25-18-20-7-6-10-22(17-20)35(32,33)28-14-13-26(19-23(28)24(29)27-11-4-5-12-27)15-16-34(30,31)21-8-2-1-3-9-21/h1-3,6-10,17,23H,4-5,11-16,19H2