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

Systemtic Name: [(2S)-1-[cyclohexyl(1,3-thiazol-2-yl)amino]-1-oxidanylidene-propan-2-yl] 4-chloranyl-3-methylsulfonyl-benzoate Openeye Name: [(1S)-2-[cyclohexyl(thiazol-2-yl)amino]-1-methyl-2-oxo-ethyl] 4-chloro-3-methylsulfonyl-benzoate CAS Name: 4-chloro-3-methylsulfonylbenzoic acid [(2S)-1-[cyclohexyl(2-thiazolyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-[cyclohexyl(1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl] 4-chloro-3-methylsulfonylbenzoate Traditional Name: 4-chloro-3-mesyl-benzoic acid [(1S)-2-[cyclohexyl(thiazol-2-yl)amino]-2-keto-1-methyl-ethyl] ester Formula: C20H23ClN2O5S2 MolecularWeight: 470.99002

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C20H23ClN2O5S2/c1-13(28-19(25)14-8-9-16(21)17(12-14)30(2,26)27)18(24)23(20-22-10-11-29-20)15-6-4-3-5-7-15/h8-13,15H,3-7H2,1-2H3/t13-/m0/s1