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

Systemtic Name: 4-[2,5-dimethyl-3-[2-(4-methylphenyl)sulfanylethanoyl]pyrrol-1-yl]benzenesulfonamide Openeye Name: 4-[2,5-dimethyl-3-[2-(p-tolylsulfanyl)acetyl]pyrrol-1-yl]benzenesulfonamide CAS Name: 4-[2,5-dimethyl-3-[2-[(4-methylphenyl)thio]-1-oxoethyl]-1-pyrrolyl]benzenesulfonamide IUPAC Name: 4-[2,5-dimethyl-3-[2-(4-methylphenyl)sulfanylacetyl]pyrrol-1-yl]benzenesulfonamide Traditional Name: 4-[2,5-dimethyl-3-[2-(p-tolylthio)acetyl]pyrrol-1-yl]benzenesulfonamide Formula: C21H22N2O3S2 MolecularWeight: 414.54098

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC(=O)C2=C(N(C(=C2)C)C3=CC=C(C=C3)S(=O)(=O)N)C

Isomeric SMILES

CC1=CC=C(C=C1)SCC(=O)C2=C(N(C(=C2)C)C3=CC=C(C=C3)S(=O)(=O)N)C

InChI

InChI=1S/C21H22N2O3S2/c1-14-4-8-18(9-5-14)27-13-21(24)20-12-15(2)23(16(20)3)17-6-10-19(11-7-17)28(22,25)26/h4-12H,13H2,1-3H3,(H2,22,25,26)