[2-[(4-methyl-3-morpholin-4-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-bromanyl-5-methoxy-benzoate

Systemtic Name: [2-[(4-methyl-3-morpholin-4-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-bromanyl-5-methoxy-benzoate Openeye Name: [2-(4-methyl-3-morpholinosulfonyl-anilino)-2-oxo-ethyl] 2-bromo-5-methoxy-benzoate CAS Name: 2-bromo-5-methoxybenzoic acid [2-[4-methyl-3-(4-morpholinylsulfonyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-(4-methyl-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-bromo-5-methoxybenzoate Traditional Name: 2-bromo-5-methoxy-benzoic acid [2-keto-2-(4-methyl-3-morpholinosulfonyl-anilino)ethyl] ester Formula: C21H23BrN2O7S MolecularWeight: 527.38552

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)COC(=O)C2=C(C=CC(=C2)OC)Br)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)COC(=O)C2=C(C=CC(=C2)OC)Br)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C21H23BrN2O7S/c1-14-3-4-15(11-19(14)32(27,28)24-7-9-30-10-8-24)23-20(25)13-31-21(26)17-12-16(29-2)5-6-18(17)22/h3-6,11-12H,7-10,13H2,1-2H3,(H,23,25)