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

Systemtic Name: 1-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone Openeye Name: 1-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-[4-(p-tolylsulfonyl)piperazin-1-yl]ethanone CAS Name: 1-(1-cyclopropyl-2,5-dimethyl-3-pyrrolyl)-2-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]ethanone IUPAC Name: 1-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone Traditional Name: 1-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-(4-tosylpiperazino)ethanone Formula: C22H29N3O3S MolecularWeight: 415.54896

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC(=O)C3=C(N(C(=C3)C)C4CC4)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC(=O)C3=C(N(C(=C3)C)C4CC4)C

InChI

InChI=1S/C22H29N3O3S/c1-16-4-8-20(9-5-16)29(27,28)24-12-10-23(11-13-24)15-22(26)21-14-17(2)25(18(21)3)19-6-7-19/h4-5,8-9,14,19H,6-7,10-13,15H2,1-3H3