[(2R)-1-[cyclohexyl(1,3-thiazol-2-yl)amino]-1-oxidanylidene-propan-2-yl] 4-chloranyl-3-sulfamoyl-benzoate

Systemtic Name: [(2R)-1-[cyclohexyl(1,3-thiazol-2-yl)amino]-1-oxidanylidene-propan-2-yl] 4-chloranyl-3-sulfamoyl-benzoate Openeye Name: [(1R)-2-[cyclohexyl(thiazol-2-yl)amino]-1-methyl-2-oxo-ethyl] 4-chloro-3-sulfamoyl-benzoate CAS Name: 4-chloro-3-sulfamoylbenzoic acid [(2R)-1-[cyclohexyl(2-thiazolyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-[cyclohexyl(1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl] 4-chloro-3-sulfamoylbenzoate Traditional Name: 4-chloro-3-sulfamoyl-benzoic acid [(1R)-2-[cyclohexyl(thiazol-2-yl)amino]-2-keto-1-methyl-ethyl] ester Formula: C19H22ClN3O5S2 MolecularWeight: 471.97808

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(C1CCCCC1)C2=NC=CS2)OC(=O)C3=CC(=C(C=C3)Cl)S(=O)(=O)N

Isomeric SMILES

C[C@H](C(=O)N(C1CCCCC1)C2=NC=CS2)OC(=O)C3=CC(=C(C=C3)Cl)S(=O)(=O)N

InChI

InChI=1S/C19H22ClN3O5S2/c1-12(28-18(25)13-7-8-15(20)16(11-13)30(21,26)27)17(24)23(19-22-9-10-29-19)14-5-3-2-4-6-14/h7-12,14H,2-6H2,1H3,(H2,21,26,27)/t12-/m1/s1