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

Systemtic Name: 3-[4-(phenylmethyl)-2-pyrrolidin-1-ylcarbonyl-piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 3-[4-benzyl-2-(pyrrolidine-1-carbonyl)piperazin-1-yl]sulfonylbenzonitrile CAS Name: 3-[[2-[oxo(1-pyrrolidinyl)methyl]-4-(phenylmethyl)-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 3-[4-benzyl-2-(pyrrolidine-1-carbonyl)piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 3-[4-benzyl-2-(pyrrolidine-1-carbonyl)piperazino]sulfonylbenzonitrile Formula: C23H26N4O3S MolecularWeight: 438.54254

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2CN(CCN2S(=O)(=O)C3=CC=CC(=C3)C#N)CC4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)C(=O)C2CN(CCN2S(=O)(=O)C3=CC=CC(=C3)C#N)CC4=CC=CC=C4

InChI

InChI=1S/C23H26N4O3S/c24-16-20-9-6-10-21(15-20)31(29,30)27-14-13-25(17-19-7-2-1-3-8-19)18-22(27)23(28)26-11-4-5-12-26/h1-3,6-10,15,22H,4-5,11-14,17-18H2