[2-[(2-methyl-5-morpholin-4-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] 4-bromanylbenzoate

Systemtic Name: [2-[(2-methyl-5-morpholin-4-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] 4-bromanylbenzoate Openeye Name: [2-(2-methyl-5-morpholinosulfonyl-anilino)-2-oxo-ethyl] 4-bromobenzoate CAS Name: 4-bromobenzoic acid [2-[2-methyl-5-(4-morpholinylsulfonyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 4-bromobenzoate Traditional Name: 4-bromobenzoic acid [2-keto-2-(2-methyl-5-morpholinosulfonyl-anilino)ethyl] ester Formula: C20H21BrN2O6S MolecularWeight: 497.35954

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)COC(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)COC(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C20H21BrN2O6S/c1-14-2-7-17(30(26,27)23-8-10-28-11-9-23)12-18(14)22-19(24)13-29-20(25)15-3-5-16(21)6-4-15/h2-7,12H,8-11,13H2,1H3,(H,22,24)