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

Systemtic Name: 4-[4-(3-pyrrolidin-1-ylsulfonylphenyl)carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 4-[4-(3-pyrrolidin-1-ylsulfonylbenzoyl)piperazin-1-yl]sulfonylbenzonitrile CAS Name: 4-[[4-[oxo-[3-(1-pyrrolidinylsulfonyl)phenyl]methyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 4-[4-(3-pyrrolidin-1-ylsulfonylbenzoyl)piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 4-[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=C(C=C4)C#N

Isomeric SMILES

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

InChI

InChI=1S/C22H24N4O5S2/c23-17-18-6-8-20(9-7-18)32(28,29)26-14-12-24(13-15-26)22(27)19-4-3-5-21(16-19)33(30,31)25-10-1-2-11-25/h3-9,16H,1-2,10-15H2