ethyl 1-[5-chloranyl-2-[(4-methylphenoxy)carbonylamino]phenyl]sulfonylpyrrole-2-carboxylate

Systemtic Name: ethyl 1-[5-chloranyl-2-[(4-methylphenoxy)carbonylamino]phenyl]sulfonylpyrrole-2-carboxylate Openeye Name: ethyl 1-[5-chloro-2-[(4-methylphenoxy)carbonylamino]phenyl]sulfonylpyrrole-2-carboxylate CAS Name: 1-[5-chloro-2-[[(4-methylphenoxy)-oxomethyl]amino]phenyl]sulfonyl-2-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[5-chloro-2-[(4-methylphenoxy)carbonylamino]phenyl]sulfonylpyrrole-2-carboxylate Traditional Name: 1-[5-chloro-2-[(4-methylphenoxy)carbonylamino]phenyl]sulfonylpyrrole-2-carboxylic acid ethyl ester Formula: C21H19ClN2O6S MolecularWeight: 462.90336

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CN1S(=O)(=O)C2=C(C=CC(=C2)Cl)NC(=O)OC3=CC=C(C=C3)C

Isomeric SMILES

CCOC(=O)C1=CC=CN1S(=O)(=O)C2=C(C=CC(=C2)Cl)NC(=O)OC3=CC=C(C=C3)C

InChI

InChI=1S/C21H19ClN2O6S/c1-3-29-20(25)18-5-4-12-24(18)31(27,28)19-13-15(22)8-11-17(19)23-21(26)30-16-9-6-14(2)7-10-16/h4-13H,3H2,1-2H3,(H,23,26)