O4-[2-[(2-chloranyl-5-morpholin-4-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] O1-methyl benzene-1,4-dicarboxylate

Systemtic Name: O4-[2-[(2-chloranyl-5-morpholin-4-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] O1-methyl benzene-1,4-dicarboxylate Openeye Name: O4-[2-(2-chloro-5-morpholinosulfonyl-anilino)-2-oxo-ethyl] O1-methyl benzene-1,4-dicarboxylate CAS Name: benzene-1,4-dicarboxylic acid O4-[2-[2-chloro-5-(4-morpholinylsulfonyl)anilino]-2-oxoethyl] ester O1-methyl ester IUPAC Name: 4-O-[2-(2-chloro-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 1-O-methyl benzene-1,4-dicarboxylate Traditional Name: benzene-1,4-dicarboxylic acid O4-[2-(2-chloro-5-morpholinosulfonyl-anilino)-2-keto-ethyl] ester O1-methyl ester Formula: C21H21ClN2O8S MolecularWeight: 496.91804

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21ClN2O8S/c1-30-20(26)14-2-4-15(5-3-14)21(27)32-13-19(25)23-18-12-16(6-7-17(18)22)33(28,29)24-8-10-31-11-9-24/h2-7,12H,8-11,13H2,1H3,(H,23,25)