4-[carboxymethyl-(4-methylphenyl)sulfonyl-amino]-1H-pyrrole-2-carboxylic acid

Systemtic Name: 4-[carboxymethyl-(4-methylphenyl)sulfonyl-amino]-1H-pyrrole-2-carboxylic acid Openeye Name: 4-[carboxymethyl(p-tolylsulfonyl)amino]-1H-pyrrole-2-carboxylic acid CAS Name: 4-[carboxymethyl-(4-methylphenyl)sulfonylamino]-1H-pyrrole-2-carboxylic acid IUPAC Name: 4-[carboxymethyl-(4-methylphenyl)sulfonylamino]-1H-pyrrole-2-carboxylic acid Traditional Name: 4-[carboxymethyl(tosyl)amino]-1H-pyrrole-2-carboxylic acid Formula: C14H14N2O6S MolecularWeight: 338.33576

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14N2O6S/c1-9-2-4-11(5-3-9)23(21,22)16(8-13(17)18)10-6-12(14(19)20)15-7-10/h2-7,15H,8H2,1H3,(H,17,18)(H,19,20)