2-[4-(3-pyrrolidin-1-ylsulfonylphenyl)carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-(3-pyrrolidin-1-ylsulfonylphenyl)carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-(3-pyrrolidin-1-ylsulfonylbenzoyl)piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[oxo-[3-(1-pyrrolidinylsulfonyl)phenyl]methyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-(3-pyrrolidin-1-ylsulfonylbenzoyl)piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-(3-pyrrolidinosulfonylbenzoyl)piperazino]sulfonylbenzonitrile Formula: C22H24N4O5S2 MolecularWeight: 488.57976

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C#N

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C#N

InChI

InChI=1S/C22H24N4O5S2/c23-17-19-6-1-2-9-21(19)33(30,31)26-14-12-24(13-15-26)22(27)18-7-5-8-20(16-18)32(28,29)25-10-3-4-11-25/h1-2,5-9,16H,3-4,10-15H2