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

Systemtic Name: [1-[(4-methyl-3-morpholin-4-ylsulfonyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(methylamino)benzoate Openeye Name: [1-methyl-2-(4-methyl-3-morpholinosulfonyl-anilino)-2-oxo-ethyl] 2-(methylamino)benzoate CAS Name: 2-(methylamino)benzoic 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-(methylamino)benzoate Traditional Name: 2-(methylamino)benzoic acid [2-keto-1-methyl-2-(4-methyl-3-morpholinosulfonyl-anilino)ethyl] ester Formula: C22H27N3O6S MolecularWeight: 461.53128

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C(C)OC(=O)C2=CC=CC=C2NC)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C(C)OC(=O)C2=CC=CC=C2NC)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C22H27N3O6S/c1-15-8-9-17(14-20(15)32(28,29)25-10-12-30-13-11-25)24-21(26)16(2)31-22(27)18-6-4-5-7-19(18)23-3/h4-9,14,16,23H,10-13H2,1-3H3,(H,24,26)