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

Systemtic Name: ethyl 1-[5-chloranyl-2-(2-methoxyethanoylamino)phenyl]sulfonylpyrrole-2-carboxylate Openeye Name: ethyl 1-[5-chloro-2-[(2-methoxyacetyl)amino]phenyl]sulfonylpyrrole-2-carboxylate CAS Name: 1-[5-chloro-2-[(2-methoxy-1-oxoethyl)amino]phenyl]sulfonyl-2-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[5-chloro-2-[(2-methoxyacetyl)amino]phenyl]sulfonylpyrrole-2-carboxylate Traditional Name: 1-[5-chloro-2-[(2-methoxyacetyl)amino]phenyl]sulfonylpyrrole-2-carboxylic acid ethyl ester Formula: C16H17ClN2O6S MolecularWeight: 400.83398

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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)COC

Isomeric SMILES

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

InChI

InChI=1S/C16H17ClN2O6S/c1-3-25-16(21)13-5-4-8-19(13)26(22,23)14-9-11(17)6-7-12(14)18-15(20)10-24-2/h4-9H,3,10H2,1-2H3,(H,18,20)