[2-[(4-chloranyl-3-morpholin-4-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate

Systemtic Name: [2-[(4-chloranyl-3-morpholin-4-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate Openeye Name: [2-(4-chloro-3-morpholinosulfonyl-anilino)-2-oxo-ethyl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate CAS Name: 2,3-dihydro-1,4-benzodioxin-6-carboxylic acid [2-[4-chloro-3-(4-morpholinylsulfonyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-(4-chloro-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate Traditional Name: 2,3-dihydro-1,4-benzodioxin-6-carboxylic acid [2-(4-chloro-3-morpholinosulfonyl-anilino)-2-keto-ethyl] ester Formula: C21H21ClN2O8S MolecularWeight: 496.91804

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=C(C=CC(=C2)NC(=O)COC(=O)C3=CC4=C(C=C3)OCCO4)Cl

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=C(C=CC(=C2)NC(=O)COC(=O)C3=CC4=C(C=C3)OCCO4)Cl

InChI

InChI=1S/C21H21ClN2O8S/c22-16-3-2-15(12-19(16)33(27,28)24-5-7-29-8-6-24)23-20(25)13-32-21(26)14-1-4-17-18(11-14)31-10-9-30-17/h1-4,11-12H,5-10,13H2,(H,23,25)