[1-[(4-methyl-3-morpholin-4-ylsulfonyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(4-bromophenyl)ethanoate

Systemtic Name: [1-[(4-methyl-3-morpholin-4-ylsulfonyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(4-bromophenyl)ethanoate Openeye Name: [1-methyl-2-(4-methyl-3-morpholinosulfonyl-anilino)-2-oxo-ethyl] 2-(4-bromophenyl)acetate CAS Name: 2-(4-bromophenyl)acetic acid [1-[4-methyl-3-(4-morpholinylsulfonyl)anilino]-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-methyl-3-morpholin-4-ylsulfonylanilino)-1-oxopropan-2-yl] 2-(4-bromophenyl)acetate Traditional Name: 2-(4-bromophenyl)acetic acid [2-keto-1-methyl-2-(4-methyl-3-morpholinosulfonyl-anilino)ethyl] ester Formula: C22H25BrN2O6S MolecularWeight: 525.4127

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C(C)OC(=O)CC2=CC=C(C=C2)Br)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C(C)OC(=O)CC2=CC=C(C=C2)Br)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C22H25BrN2O6S/c1-15-3-8-19(14-20(15)32(28,29)25-9-11-30-12-10-25)24-22(27)16(2)31-21(26)13-17-4-6-18(23)7-5-17/h3-8,14,16H,9-13H2,1-2H3,(H,24,27)