O1-methyl O4-[2-[(3-morpholin-4-ylsulfonylphenyl)amino]-2-oxidanylidene-ethyl] benzene-1,4-dicarboxylate

Systemtic Name: O1-methyl O4-[2-[(3-morpholin-4-ylsulfonylphenyl)amino]-2-oxidanylidene-ethyl] benzene-1,4-dicarboxylate Openeye Name: O1-methyl O4-[2-(3-morpholinosulfonylanilino)-2-oxo-ethyl] benzene-1,4-dicarboxylate CAS Name: benzene-1,4-dicarboxylic acid O1-methyl ester O4-[2-[3-(4-morpholinylsulfonyl)anilino]-2-oxoethyl] ester IUPAC Name: 1-O-methyl 4-O-[2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] benzene-1,4-dicarboxylate Traditional Name: benzene-1,4-dicarboxylic acid O4-[2-keto-2-(3-morpholinosulfonylanilino)ethyl] ester O1-methyl ester Formula: C21H22N2O8S MolecularWeight: 462.47298

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C(=O)OCC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCOCC3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C(=O)OCC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C21H22N2O8S/c1-29-20(25)15-5-7-16(8-6-15)21(26)31-14-19(24)22-17-3-2-4-18(13-17)32(27,28)23-9-11-30-12-10-23/h2-8,13H,9-12,14H2,1H3,(H,22,24)