[4-[(2,5-dimethylpyrrol-1-yl)carbamoyl]phenyl] thiophene-2-sulfonate

Systemtic Name: [4-[(2,5-dimethylpyrrol-1-yl)carbamoyl]phenyl] thiophene-2-sulfonate Openeye Name: [4-[(2,5-dimethylpyrrol-1-yl)carbamoyl]phenyl] thiophene-2-sulfonate CAS Name: 2-thiophenesulfonic acid [4-[[(2,5-dimethyl-1-pyrrolyl)amino]-oxomethyl]phenyl] ester IUPAC Name: [4-[(2,5-dimethylpyrrol-1-yl)carbamoyl]phenyl] thiophene-2-sulfonate Traditional Name: thiophene-2-sulfonic acid [4-[(2,5-dimethylpyrrol-1-yl)carbamoyl]phenyl] ester Formula: C17H16N2O4S2 MolecularWeight: 376.44994

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1NC(=O)C2=CC=C(C=C2)OS(=O)(=O)C3=CC=CS3)C

Isomeric SMILES

CC1=CC=C(N1NC(=O)C2=CC=C(C=C2)OS(=O)(=O)C3=CC=CS3)C

InChI

InChI=1S/C17H16N2O4S2/c1-12-5-6-13(2)19(12)18-17(20)14-7-9-15(10-8-14)23-25(21,22)16-4-3-11-24-16/h3-11H,1-2H3,(H,18,20)