[2-[(2-chloranyl-5-morpholin-4-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] 2,4-dimethoxybenzoate

Systemtic Name: [2-[(2-chloranyl-5-morpholin-4-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] 2,4-dimethoxybenzoate Openeye Name: [2-(2-chloro-5-morpholinosulfonyl-anilino)-2-oxo-ethyl] 2,4-dimethoxybenzoate CAS Name: 2,4-dimethoxybenzoic acid [2-[2-chloro-5-(4-morpholinylsulfonyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-(2-chloro-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2,4-dimethoxybenzoate Traditional Name: 2,4-dimethoxybenzoic acid [2-(2-chloro-5-morpholinosulfonyl-anilino)-2-keto-ethyl] ester Formula: C21H23ClN2O8S MolecularWeight: 498.93392

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C(=O)OCC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)Cl)OC

Isomeric SMILES

COC1=CC(=C(C=C1)C(=O)OCC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)Cl)OC

InChI

InChI=1S/C21H23ClN2O8S/c1-29-14-3-5-16(19(11-14)30-2)21(26)32-13-20(25)23-18-12-15(4-6-17(18)22)33(27,28)24-7-9-31-10-8-24/h3-6,11-12H,7-10,13H2,1-2H3,(H,23,25)