methyl 4-[4-(2,4-dimethylphenyl)piperazin-1-yl]sulfonyl-1-methyl-pyrrole-2-carboxylate

Systemtic Name: methyl 4-[4-(2,4-dimethylphenyl)piperazin-1-yl]sulfonyl-1-methyl-pyrrole-2-carboxylate Openeye Name: methyl 4-[4-(2,4-dimethylphenyl)piperazin-1-yl]sulfonyl-1-methyl-pyrrole-2-carboxylate CAS Name: 4-[[4-(2,4-dimethylphenyl)-1-piperazinyl]sulfonyl]-1-methyl-2-pyrrolecarboxylic acid methyl ester IUPAC Name: methyl 4-[4-(2,4-dimethylphenyl)piperazin-1-yl]sulfonyl-1-methylpyrrole-2-carboxylate Traditional Name: 4-[4-(2,4-dimethylphenyl)piperazino]sulfonyl-1-methyl-pyrrole-2-carboxylic acid methyl ester Formula: C19H25N3O4S MolecularWeight: 391.4845

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25N3O4S/c1-14-5-6-17(15(2)11-14)21-7-9-22(10-8-21)27(24,25)16-12-18(19(23)26-4)20(3)13-16/h5-6,11-13H,7-10H2,1-4H3