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

Systemtic Name: 1-(2,5-dimethyl-1-propan-2-yl-pyrrol-3-yl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone Openeye Name: 1-(1-isopropyl-2,5-dimethyl-pyrrol-3-yl)-2-[4-(p-tolylsulfonyl)piperazin-1-yl]ethanone CAS Name: 1-(2,5-dimethyl-1-propan-2-yl-3-pyrrolyl)-2-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]ethanone IUPAC Name: 1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone Traditional Name: 1-(1-isopropyl-2,5-dimethyl-pyrrol-3-yl)-2-(4-tosylpiperazino)ethanone Formula: C22H31N3O3S MolecularWeight: 417.56484

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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)C(C)C)C

Isomeric SMILES

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

InChI

InChI=1S/C22H31N3O3S/c1-16(2)25-18(4)14-21(19(25)5)22(26)15-23-10-12-24(13-11-23)29(27,28)20-8-6-17(3)7-9-20/h6-9,14,16H,10-13,15H2,1-5H3