[4-(4-methylphenoxy)phenyl] 5-aminocarbonyl-1-methyl-pyrrole-3-sulfonate

Systemtic Name: [4-(4-methylphenoxy)phenyl] 5-aminocarbonyl-1-methyl-pyrrole-3-sulfonate Openeye Name: [4-(4-methylphenoxy)phenyl] 5-carbamoyl-1-methyl-pyrrole-3-sulfonate CAS Name: 5-carbamoyl-1-methyl-3-pyrrolesulfonic acid [4-(4-methylphenoxy)phenyl] ester IUPAC Name: [4-(4-methylphenoxy)phenyl] 5-carbamoyl-1-methylpyrrole-3-sulfonate Traditional Name: 5-carbamoyl-1-methyl-pyrrole-3-sulfonic acid [4-(4-methylphenoxy)phenyl] ester Formula: C19H18N2O5S MolecularWeight: 386.42162

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OC2=CC=C(C=C2)OS(=O)(=O)C3=CN(C(=C3)C(=O)N)C

Isomeric SMILES

CC1=CC=C(C=C1)OC2=CC=C(C=C2)OS(=O)(=O)C3=CN(C(=C3)C(=O)N)C

InChI

InChI=1S/C19H18N2O5S/c1-13-3-5-14(6-4-13)25-15-7-9-16(10-8-15)26-27(23,24)17-11-18(19(20)22)21(2)12-17/h3-12H,1-2H3,(H2,20,22)