ethyl 1-[5-chloranyl-2-(2-methylpropanoylamino)phenyl]sulfonylpyrrole-2-carboxylate

Systemtic Name: ethyl 1-[5-chloranyl-2-(2-methylpropanoylamino)phenyl]sulfonylpyrrole-2-carboxylate Openeye Name: ethyl 1-[5-chloro-2-(2-methylpropanoylamino)phenyl]sulfonylpyrrole-2-carboxylate CAS Name: 1-[5-chloro-2-[(2-methyl-1-oxopropyl)amino]phenyl]sulfonyl-2-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[5-chloro-2-(2-methylpropanoylamino)phenyl]sulfonylpyrrole-2-carboxylate Traditional Name: 1-[5-chloro-2-(isobutyrylamino)phenyl]sulfonylpyrrole-2-carboxylic acid ethyl ester Formula: C17H19ClN2O5S MolecularWeight: 398.86116

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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)C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C17H19ClN2O5S/c1-4-25-17(22)14-6-5-9-20(14)26(23,24)15-10-12(18)7-8-13(15)19-16(21)11(2)3/h5-11H,4H2,1-3H3,(H,19,21)