[1-[cyclohexyl(1,3-thiazol-2-yl)amino]-1-oxidanylidene-propan-2-yl] 3-methylsulfonylbenzoate

Systemtic Name: [1-[cyclohexyl(1,3-thiazol-2-yl)amino]-1-oxidanylidene-propan-2-yl] 3-methylsulfonylbenzoate Openeye Name: [2-[cyclohexyl(thiazol-2-yl)amino]-1-methyl-2-oxo-ethyl] 3-methylsulfonylbenzoate CAS Name: 3-methylsulfonylbenzoic acid [1-[cyclohexyl(2-thiazolyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[cyclohexyl(1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl] 3-methylsulfonylbenzoate Traditional Name: 3-mesylbenzoic acid [2-[cyclohexyl(thiazol-2-yl)amino]-2-keto-1-methyl-ethyl] ester Formula: C20H24N2O5S2 MolecularWeight: 436.54496

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N2O5S2/c1-14(27-19(24)15-7-6-10-17(13-15)29(2,25)26)18(23)22(20-21-11-12-28-20)16-8-4-3-5-9-16/h6-7,10-14,16H,3-5,8-9H2,1-2H3