[2-[(3-chlorophenyl)amino]-2-oxidanylidene-ethyl] 4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxylate

Systemtic Name: [2-[(3-chlorophenyl)amino]-2-oxidanylidene-ethyl] 4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxylate Openeye Name: [2-(3-chloroanilino)-2-oxo-ethyl] 4-morpholinosulfonyl-1H-pyrrole-2-carboxylate CAS Name: 4-(4-morpholinylsulfonyl)-1H-pyrrole-2-carboxylic acid [2-(3-chloroanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-chloroanilino)-2-oxoethyl] 4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxylate Traditional Name: 4-morpholinosulfonyl-1H-pyrrole-2-carboxylic acid [2-(3-chloroanilino)-2-keto-ethyl] ester Formula: C17H18ClN3O6S MolecularWeight: 427.85932

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CNC(=C2)C(=O)OCC(=O)NC3=CC(=CC=C3)Cl

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CNC(=C2)C(=O)OCC(=O)NC3=CC(=CC=C3)Cl

InChI

InChI=1S/C17H18ClN3O6S/c18-12-2-1-3-13(8-12)20-16(22)11-27-17(23)15-9-14(10-19-15)28(24,25)21-4-6-26-7-5-21/h1-3,8-10,19H,4-7,11H2,(H,20,22)