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

Systemtic Name: 2-[4-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-(2,5-dimethyl-1-phenyl-pyrrole-3-carbonyl)piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[(2,5-dimethyl-1-phenyl-3-pyrrolyl)-oxomethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-(2,5-dimethyl-1-phenylpyrrole-3-carbonyl)piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-(2,5-dimethyl-1-phenyl-pyrrole-3-carbonyl)piperazino]sulfonylbenzonitrile Formula: C24H24N4O3S MolecularWeight: 448.53736

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=CC=C2)C)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C#N

Isomeric SMILES

CC1=CC(=C(N1C2=CC=CC=C2)C)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C#N

InChI

InChI=1S/C24H24N4O3S/c1-18-16-22(19(2)28(18)21-9-4-3-5-10-21)24(29)26-12-14-27(15-13-26)32(30,31)23-11-7-6-8-20(23)17-25/h3-11,16H,12-15H2,1-2H3