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

Systemtic Name: 1-[4-[4-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)carbonylpiperazin-1-yl]sulfonylphenyl]ethanone Openeye Name: 1-[4-[4-(2,5-dimethyl-1-phenyl-pyrrole-3-carbonyl)piperazin-1-yl]sulfonylphenyl]ethanone CAS Name: 1-[4-[[4-[(2,5-dimethyl-1-phenyl-3-pyrrolyl)-oxomethyl]-1-piperazinyl]sulfonyl]phenyl]ethanone IUPAC Name: 1-[4-[4-(2,5-dimethyl-1-phenylpyrrole-3-carbonyl)piperazin-1-yl]sulfonylphenyl]ethanone Traditional Name: 1-[4-[4-(2,5-dimethyl-1-phenyl-pyrrole-3-carbonyl)piperazino]sulfonylphenyl]ethanone Formula: C25H27N3O4S MolecularWeight: 465.56458

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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=C(C=C4)C(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C25H27N3O4S/c1-18-17-24(19(2)28(18)22-7-5-4-6-8-22)25(30)26-13-15-27(16-14-26)33(31,32)23-11-9-21(10-12-23)20(3)29/h4-12,17H,13-16H2,1-3H3