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

Systemtic Name: [3-(ethoxycarbonylamino)phenyl] 5-aminocarbonyl-1-methyl-pyrrole-3-sulfonate Openeye Name: [3-(ethoxycarbonylamino)phenyl] 5-carbamoyl-1-methyl-pyrrole-3-sulfonate CAS Name: 5-carbamoyl-1-methyl-3-pyrrolesulfonic acid [3-(ethoxycarbonylamino)phenyl] ester IUPAC Name: [3-(ethoxycarbonylamino)phenyl] 5-carbamoyl-1-methylpyrrole-3-sulfonate Traditional Name: 5-carbamoyl-1-methyl-pyrrole-3-sulfonic acid [3-(carbethoxyamino)phenyl] ester Formula: C15H17N3O6S MolecularWeight: 367.37698

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC1=CC(=CC=C1)OS(=O)(=O)C2=CN(C(=C2)C(=O)N)C

Isomeric SMILES

CCOC(=O)NC1=CC(=CC=C1)OS(=O)(=O)C2=CN(C(=C2)C(=O)N)C

InChI

InChI=1S/C15H17N3O6S/c1-3-23-15(20)17-10-5-4-6-11(7-10)24-25(21,22)12-8-13(14(16)19)18(2)9-12/h4-9H,3H2,1-2H3,(H2,16,19)(H,17,20)