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

Systemtic Name: 1-[3-[4-[2,5-dimethyl-1-(3-methylphenyl)pyrrol-3-yl]carbonylpiperazin-1-yl]sulfonylphenyl]ethanone Openeye Name: 1-[3-[4-[2,5-dimethyl-1-(m-tolyl)pyrrole-3-carbonyl]piperazin-1-yl]sulfonylphenyl]ethanone CAS Name: 1-[3-[[4-[[2,5-dimethyl-1-(3-methylphenyl)-3-pyrrolyl]-oxomethyl]-1-piperazinyl]sulfonyl]phenyl]ethanone IUPAC Name: 1-[3-[4-[2,5-dimethyl-1-(3-methylphenyl)pyrrole-3-carbonyl]piperazin-1-yl]sulfonylphenyl]ethanone Traditional Name: 1-[3-[4-[2,5-dimethyl-1-(m-tolyl)pyrrole-3-carbonyl]piperazino]sulfonylphenyl]ethanone Formula: C26H29N3O4S MolecularWeight: 479.59116

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=CC(=C2C)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC(=C4)C(=O)C)C

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=CC(=C2C)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC(=C4)C(=O)C)C

InChI

InChI=1S/C26H29N3O4S/c1-18-7-5-9-23(15-18)29-19(2)16-25(20(29)3)26(31)27-11-13-28(14-12-27)34(32,33)24-10-6-8-22(17-24)21(4)30/h5-10,15-17H,11-14H2,1-4H3