[2-[(4-methoxy-3-morpholin-4-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-chloranylbenzoate

Systemtic Name: [2-[(4-methoxy-3-morpholin-4-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-chloranylbenzoate Openeye Name: [2-(4-methoxy-3-morpholinosulfonyl-anilino)-2-oxo-ethyl] 3-chlorobenzoate CAS Name: 3-chlorobenzoic acid [2-[4-methoxy-3-(4-morpholinylsulfonyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-(4-methoxy-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-chlorobenzoate Traditional Name: 3-chlorobenzoic acid [2-keto-2-(4-methoxy-3-morpholinosulfonyl-anilino)ethyl] ester Formula: C20H21ClN2O7S MolecularWeight: 468.90794

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)COC(=O)C2=CC(=CC=C2)Cl)S(=O)(=O)N3CCOCC3

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)COC(=O)C2=CC(=CC=C2)Cl)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C20H21ClN2O7S/c1-28-17-6-5-16(12-18(17)31(26,27)23-7-9-29-10-8-23)22-19(24)13-30-20(25)14-3-2-4-15(21)11-14/h2-6,11-12H,7-10,13H2,1H3,(H,22,24)