[2-[(2-methoxy-5-morpholin-4-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] (3R)-2,3-dihydro-1,4-benzodioxine-3-carboxylate

Systemtic Name: [2-[(2-methoxy-5-morpholin-4-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] (3R)-2,3-dihydro-1,4-benzodioxine-3-carboxylate Openeye Name: [2-(2-methoxy-5-morpholinosulfonyl-anilino)-2-oxo-ethyl] (3R)-2,3-dihydro-1,4-benzodioxine-3-carboxylate CAS Name: (3R)-2,3-dihydro-1,4-benzodioxin-3-carboxylic acid [2-[2-methoxy-5-(4-morpholinylsulfonyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-(2-methoxy-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] (3R)-2,3-dihydro-1,4-benzodioxine-3-carboxylate Traditional Name: (3R)-2,3-dihydro-1,4-benzodioxin-3-carboxylic acid [2-keto-2-(2-methoxy-5-morpholinosulfonyl-anilino)ethyl] ester Formula: C22H24N2O9S MolecularWeight: 492.49896

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)COC(=O)C3COC4=CC=CC=C4O3

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)COC(=O)[C@H]3COC4=CC=CC=C4O3

InChI

InChI=1S/C22H24N2O9S/c1-29-17-7-6-15(34(27,28)24-8-10-30-11-9-24)12-16(17)23-21(25)14-32-22(26)20-13-31-18-4-2-3-5-19(18)33-20/h2-7,12,20H,8-11,13-14H2,1H3,(H,23,25)/t20-/m1/s1