[2-oxidanylidene-2-(1H-pyrrol-2-yl)ethyl] 3-(4-morpholin-4-ylsulfonylphenyl)propanoate

Systemtic Name: [2-oxidanylidene-2-(1H-pyrrol-2-yl)ethyl] 3-(4-morpholin-4-ylsulfonylphenyl)propanoate Openeye Name: [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 3-(4-morpholinosulfonylphenyl)propanoate CAS Name: 3-[4-(4-morpholinylsulfonyl)phenyl]propanoic acid [2-oxo-2-(1H-pyrrol-2-yl)ethyl] ester IUPAC Name: [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 3-(4-morpholin-4-ylsulfonylphenyl)propanoate Traditional Name: 3-(4-morpholinosulfonylphenyl)propionic acid [2-keto-2-(1H-pyrrol-2-yl)ethyl] ester Formula: C19H22N2O6S MolecularWeight: 406.45278

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)CCC(=O)OCC(=O)C3=CC=CN3

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)CCC(=O)OCC(=O)C3=CC=CN3

InChI

InChI=1S/C19H22N2O6S/c22-18(17-2-1-9-20-17)14-27-19(23)8-5-15-3-6-16(7-4-15)28(24,25)21-10-12-26-13-11-21/h1-4,6-7,9,20H,5,8,10-14H2