4-[methyl-[(4-methylphenyl)methyl]sulfamoyl]-1H-pyrrole-2-carboxylic acid

Systemtic Name: 4-[methyl-[(4-methylphenyl)methyl]sulfamoyl]-1H-pyrrole-2-carboxylic acid Openeye Name: 4-[methyl(p-tolylmethyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid CAS Name: 4-[methyl-[(4-methylphenyl)methyl]sulfamoyl]-1H-pyrrole-2-carboxylic acid IUPAC Name: 4-[methyl-[(4-methylphenyl)methyl]sulfamoyl]-1H-pyrrole-2-carboxylic acid Traditional Name: 4-[methyl-(4-methylbenzyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid Formula: C14H16N2O4S MolecularWeight: 308.35284

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN(C)S(=O)(=O)C2=CNC(=C2)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)CN(C)S(=O)(=O)C2=CNC(=C2)C(=O)O

InChI

InChI=1S/C14H16N2O4S/c1-10-3-5-11(6-4-10)9-16(2)21(19,20)12-7-13(14(17)18)15-8-12/h3-8,15H,9H2,1-2H3,(H,17,18)