methyl 4-(4-chlorophenyl)-1-ethylsulfonyl-3-morpholin-4-yl-pyrrole-2-carboxylate

Systemtic Name: methyl 4-(4-chlorophenyl)-1-ethylsulfonyl-3-morpholin-4-yl-pyrrole-2-carboxylate Openeye Name: methyl 4-(4-chlorophenyl)-1-ethylsulfonyl-3-morpholino-pyrrole-2-carboxylate CAS Name: 4-(4-chlorophenyl)-1-ethylsulfonyl-3-(4-morpholinyl)-2-pyrrolecarboxylic acid methyl ester IUPAC Name: methyl 4-(4-chlorophenyl)-1-ethylsulfonyl-3-morpholin-4-ylpyrrole-2-carboxylate Traditional Name: 4-(4-chlorophenyl)-1-esyl-3-morpholino-pyrrole-2-carboxylic acid methyl ester Formula: C18H21ClN2O5S MolecularWeight: 412.88774

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1C=C(C(=C1C(=O)OC)N2CCOCC2)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCS(=O)(=O)N1C=C(C(=C1C(=O)OC)N2CCOCC2)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H21ClN2O5S/c1-3-27(23,24)21-12-15(13-4-6-14(19)7-5-13)16(17(21)18(22)25-2)20-8-10-26-11-9-20/h4-7,12H,3,8-11H2,1-2H3