ethyl 1-[3-(3-chlorophenyl)-2-(propanoylamino)phenyl]sulfonylpyrrole-2-carboxylate

Systemtic Name: ethyl 1-[3-(3-chlorophenyl)-2-(propanoylamino)phenyl]sulfonylpyrrole-2-carboxylate Openeye Name: ethyl 1-[3-(3-chlorophenyl)-2-(propanoylamino)phenyl]sulfonylpyrrole-2-carboxylate CAS Name: 1-[3-(3-chlorophenyl)-2-(1-oxopropylamino)phenyl]sulfonyl-2-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-(3-chlorophenyl)-2-(propanoylamino)phenyl]sulfonylpyrrole-2-carboxylate Traditional Name: 1-[3-(3-chlorophenyl)-2-propionamido-phenyl]sulfonylpyrrole-2-carboxylic acid ethyl ester Formula: C22H21ClN2O5S MolecularWeight: 460.93054

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=C(C=CC=C1S(=O)(=O)N2C=CC=C2C(=O)OCC)C3=CC(=CC=C3)Cl

Isomeric SMILES

CCC(=O)NC1=C(C=CC=C1S(=O)(=O)N2C=CC=C2C(=O)OCC)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C22H21ClN2O5S/c1-3-20(26)24-21-17(15-8-5-9-16(23)14-15)10-6-12-19(21)31(28,29)25-13-7-11-18(25)22(27)30-4-2/h5-14H,3-4H2,1-2H3,(H,24,26)