[(2S)-1-[[5-(dimethylsulfamoyl)-2-methyl-phenyl]amino]-1-oxidanylidene-propan-2-yl] 3-azanyl-4-chloranyl-benzoate

Systemtic Name: [(2S)-1-[[5-(dimethylsulfamoyl)-2-methyl-phenyl]amino]-1-oxidanylidene-propan-2-yl] 3-azanyl-4-chloranyl-benzoate Openeye Name: [(1S)-2-[5-(dimethylsulfamoyl)-2-methyl-anilino]-1-methyl-2-oxo-ethyl] 3-amino-4-chloro-benzoate CAS Name: 3-amino-4-chlorobenzoic acid [(2S)-1-[5-(dimethylsulfamoyl)-2-methylanilino]-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-[5-(dimethylsulfamoyl)-2-methylanilino]-1-oxopropan-2-yl] 3-amino-4-chlorobenzoate Traditional Name: 3-amino-4-chloro-benzoic acid [(1S)-2-[5-(dimethylsulfamoyl)-2-methyl-anilino]-2-keto-1-methyl-ethyl] ester Formula: C19H22ClN3O5S MolecularWeight: 439.91308

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N(C)C)NC(=O)C(C)OC(=O)C2=CC(=C(C=C2)Cl)N

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N(C)C)NC(=O)[C@H](C)OC(=O)C2=CC(=C(C=C2)Cl)N

InChI

InChI=1S/C19H22ClN3O5S/c1-11-5-7-14(29(26,27)23(3)4)10-17(11)22-18(24)12(2)28-19(25)13-6-8-15(20)16(21)9-13/h5-10,12H,21H2,1-4H3,(H,22,24)/t12-/m0/s1