2-[4-(4-pyrrol-1-ylphenyl)carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-(4-pyrrol-1-ylphenyl)carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-(4-pyrrol-1-ylbenzoyl)piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[oxo-[4-(1-pyrrolyl)phenyl]methyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-(4-pyrrol-1-ylbenzoyl)piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-(4-pyrrol-1-ylbenzoyl)piperazino]sulfonylbenzonitrile Formula: C22H20N4O3S MolecularWeight: 420.4842

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=CC=C(C=C2)N3C=CC=C3)S(=O)(=O)C4=CC=CC=C4C#N

Isomeric SMILES

C1CN(CCN1C(=O)C2=CC=C(C=C2)N3C=CC=C3)S(=O)(=O)C4=CC=CC=C4C#N

InChI

InChI=1S/C22H20N4O3S/c23-17-19-5-1-2-6-21(19)30(28,29)26-15-13-25(14-16-26)22(27)18-7-9-20(10-8-18)24-11-3-4-12-24/h1-12H,13-16H2