2-[4-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-(1-cyclopropyl-2,5-dimethyl-pyrrole-3-carbonyl)piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[(1-cyclopropyl-2,5-dimethyl-3-pyrrolyl)-oxomethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-(1-cyclopropyl-2,5-dimethylpyrrole-3-carbonyl)piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-(1-cyclopropyl-2,5-dimethyl-pyrrole-3-carbonyl)piperazino]sulfonylbenzonitrile Formula: C21H24N4O3S MolecularWeight: 412.50526

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2CC2)C)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C#N

Isomeric SMILES

CC1=CC(=C(N1C2CC2)C)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C#N

InChI

InChI=1S/C21H24N4O3S/c1-15-13-19(16(2)25(15)18-7-8-18)21(26)23-9-11-24(12-10-23)29(27,28)20-6-4-3-5-17(20)14-22/h3-6,13,18H,7-12H2,1-2H3