4-[2,5-dimethyl-3-[2-[4-(2-methylphenyl)piperazin-1-yl]ethanoyl]pyrrol-1-yl]benzenesulfonamide

Systemtic Name: 4-[2,5-dimethyl-3-[2-[4-(2-methylphenyl)piperazin-1-yl]ethanoyl]pyrrol-1-yl]benzenesulfonamide Openeye Name: 4-[2,5-dimethyl-3-[2-[4-(o-tolyl)piperazin-1-yl]acetyl]pyrrol-1-yl]benzenesulfonamide CAS Name: 4-[2,5-dimethyl-3-[2-[4-(2-methylphenyl)-1-piperazinyl]-1-oxoethyl]-1-pyrrolyl]benzenesulfonamide IUPAC Name: 4-[2,5-dimethyl-3-[2-[4-(2-methylphenyl)piperazin-1-yl]acetyl]pyrrol-1-yl]benzenesulfonamide Traditional Name: 4-[2,5-dimethyl-3-[2-[4-(o-tolyl)piperazino]acetyl]pyrrol-1-yl]benzenesulfonamide Formula: C25H30N4O3S MolecularWeight: 466.5957

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CCN(CC2)CC(=O)C3=C(N(C(=C3)C)C4=CC=C(C=C4)S(=O)(=O)N)C

Isomeric SMILES

CC1=CC=CC=C1N2CCN(CC2)CC(=O)C3=C(N(C(=C3)C)C4=CC=C(C=C4)S(=O)(=O)N)C

InChI

InChI=1S/C25H30N4O3S/c1-18-6-4-5-7-24(18)28-14-12-27(13-15-28)17-25(30)23-16-19(2)29(20(23)3)21-8-10-22(11-9-21)33(26,31)32/h4-11,16H,12-15,17H2,1-3H3,(H2,26,31,32)