[2-(4-morpholin-4-ylsulfonylphenyl)-2-oxidanylidene-ethyl] 1-methylpyrrole-2-carboxylate

Systemtic Name: [2-(4-morpholin-4-ylsulfonylphenyl)-2-oxidanylidene-ethyl] 1-methylpyrrole-2-carboxylate Openeye Name: [2-(4-morpholinosulfonylphenyl)-2-oxo-ethyl] 1-methylpyrrole-2-carboxylate CAS Name: 1-methyl-2-pyrrolecarboxylic acid [2-[4-(4-morpholinylsulfonyl)phenyl]-2-oxoethyl] ester IUPAC Name: [2-(4-morpholin-4-ylsulfonylphenyl)-2-oxoethyl] 1-methylpyrrole-2-carboxylate Traditional Name: 1-methylpyrrole-2-carboxylic acid [2-keto-2-(4-morpholinosulfonylphenyl)ethyl] ester Formula: C18H20N2O6S MolecularWeight: 392.4262

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C(=O)OCC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CN1C=CC=C1C(=O)OCC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C18H20N2O6S/c1-19-8-2-3-16(19)18(22)26-13-17(21)14-4-6-15(7-5-14)27(23,24)20-9-11-25-12-10-20/h2-8H,9-13H2,1H3