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

Systemtic Name: 4-[2,5-dimethyl-3-[2-[(4-methylphenyl)amino]-1,3-thiazol-4-yl]pyrrol-1-yl]benzenesulfonamide Openeye Name: 4-[2,5-dimethyl-3-[2-(4-methylanilino)thiazol-4-yl]pyrrol-1-yl]benzenesulfonamide CAS Name: 4-[2,5-dimethyl-3-[2-(4-methylanilino)-4-thiazolyl]-1-pyrrolyl]benzenesulfonamide IUPAC Name: 4-[2,5-dimethyl-3-[2-(4-methylanilino)-1,3-thiazol-4-yl]pyrrol-1-yl]benzenesulfonamide Traditional Name: 4-[2,5-dimethyl-3-[2-(p-toluidino)thiazol-4-yl]pyrrol-1-yl]benzenesulfonamide Formula: C22H22N4O2S2 MolecularWeight: 438.56568

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=NC(=CS2)C3=C(N(C(=C3)C)C4=CC=C(C=C4)S(=O)(=O)N)C

Isomeric SMILES

CC1=CC=C(C=C1)NC2=NC(=CS2)C3=C(N(C(=C3)C)C4=CC=C(C=C4)S(=O)(=O)N)C

InChI

InChI=1S/C22H22N4O2S2/c1-14-4-6-17(7-5-14)24-22-25-21(13-29-22)20-12-15(2)26(16(20)3)18-8-10-19(11-9-18)30(23,27)28/h4-13H,1-3H3,(H,24,25)(H2,23,27,28)