[2-[(3-morpholin-4-ylsulfonylphenyl)amino]-2-oxidanylidene-ethyl] 4-azanyl-5-chloranyl-2-methoxy-benzoate

Systemtic Name: [2-[(3-morpholin-4-ylsulfonylphenyl)amino]-2-oxidanylidene-ethyl] 4-azanyl-5-chloranyl-2-methoxy-benzoate Openeye Name: [2-(3-morpholinosulfonylanilino)-2-oxo-ethyl] 4-amino-5-chloro-2-methoxy-benzoate CAS Name: 4-amino-5-chloro-2-methoxybenzoic acid [2-[3-(4-morpholinylsulfonyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 4-amino-5-chloro-2-methoxybenzoate Traditional Name: 4-amino-5-chloro-2-methoxy-benzoic acid [2-keto-2-(3-morpholinosulfonylanilino)ethyl] ester Formula: C20H22ClN3O7S MolecularWeight: 483.92258

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C(=O)OCC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCOCC3)Cl)N

Isomeric SMILES

COC1=CC(=C(C=C1C(=O)OCC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCOCC3)Cl)N

InChI

InChI=1S/C20H22ClN3O7S/c1-29-18-11-17(22)16(21)10-15(18)20(26)31-12-19(25)23-13-3-2-4-14(9-13)32(27,28)24-5-7-30-8-6-24/h2-4,9-11H,5-8,12,22H2,1H3,(H,23,25)