2-[(4-methoxyphenyl)sulfonyl-(phenylmethyl)amino]-1H-pyrrole-3-carboxylic acid

Systemtic Name: 2-[(4-methoxyphenyl)sulfonyl-(phenylmethyl)amino]-1H-pyrrole-3-carboxylic acid Openeye Name: 2-[benzyl-(4-methoxyphenyl)sulfonyl-amino]-1H-pyrrole-3-carboxylic acid CAS Name: 2-[(4-methoxyphenyl)sulfonyl-(phenylmethyl)amino]-1H-pyrrole-3-carboxylic acid IUPAC Name: 2-[benzyl-(4-methoxyphenyl)sulfonylamino]-1H-pyrrole-3-carboxylic acid Traditional Name: 2-[benzyl-(4-methoxyphenyl)sulfonyl-amino]-1H-pyrrole-3-carboxylic acid Formula: C19H18N2O5S MolecularWeight: 386.42162

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=CC=C2)C3=C(C=CN3)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=CC=C2)C3=C(C=CN3)C(=O)O

InChI

InChI=1S/C19H18N2O5S/c1-26-15-7-9-16(10-8-15)27(24,25)21(13-14-5-3-2-4-6-14)18-17(19(22)23)11-12-20-18/h2-12,20H,13H2,1H3,(H,22,23)