[2-[(4-methylphenyl)amino]-1,3-thiazol-4-yl]methyl 1-methyl-4-pyrrolidin-1-ylsulfonyl-pyrrole-2-carboxylate

Systemtic Name: [2-[(4-methylphenyl)amino]-1,3-thiazol-4-yl]methyl 1-methyl-4-pyrrolidin-1-ylsulfonyl-pyrrole-2-carboxylate Openeye Name: [2-(4-methylanilino)thiazol-4-yl]methyl 1-methyl-4-pyrrolidin-1-ylsulfonyl-pyrrole-2-carboxylate CAS Name: 1-methyl-4-(1-pyrrolidinylsulfonyl)-2-pyrrolecarboxylic acid [2-(4-methylanilino)-4-thiazolyl]methyl ester IUPAC Name: [2-(4-methylanilino)-1,3-thiazol-4-yl]methyl 1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxylate Traditional Name: 1-methyl-4-pyrrolidinosulfonyl-pyrrole-2-carboxylic acid [2-(p-toluidino)thiazol-4-yl]methyl ester Formula: C21H24N4O4S2 MolecularWeight: 460.56966

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=NC(=CS2)COC(=O)C3=CC(=CN3C)S(=O)(=O)N4CCCC4

Isomeric SMILES

CC1=CC=C(C=C1)NC2=NC(=CS2)COC(=O)C3=CC(=CN3C)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C21H24N4O4S2/c1-15-5-7-16(8-6-15)22-21-23-17(14-30-21)13-29-20(26)19-11-18(12-24(19)2)31(27,28)25-9-3-4-10-25/h5-8,11-12,14H,3-4,9-10,13H2,1-2H3,(H,22,23)