[2-[hexyl-(4-phenyl-1,3-thiazol-2-yl)amino]-2-oxidanylidene-ethyl] 4-methylsulfonylbenzoate

Systemtic Name: [2-[hexyl-(4-phenyl-1,3-thiazol-2-yl)amino]-2-oxidanylidene-ethyl] 4-methylsulfonylbenzoate Openeye Name: [2-[hexyl-(4-phenylthiazol-2-yl)amino]-2-oxo-ethyl] 4-methylsulfonylbenzoate CAS Name: 4-methylsulfonylbenzoic acid [2-[hexyl-(4-phenyl-2-thiazolyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[hexyl-(4-phenyl-1,3-thiazol-2-yl)amino]-2-oxoethyl] 4-methylsulfonylbenzoate Traditional Name: 4-mesylbenzoic acid [2-[hexyl-(4-phenylthiazol-2-yl)amino]-2-keto-ethyl] ester Formula: C25H28N2O5S2 MolecularWeight: 500.63022

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN(C1=NC(=CS1)C2=CC=CC=C2)C(=O)COC(=O)C3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CCCCCCN(C1=NC(=CS1)C2=CC=CC=C2)C(=O)COC(=O)C3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C25H28N2O5S2/c1-3-4-5-9-16-27(25-26-22(18-33-25)19-10-7-6-8-11-19)23(28)17-32-24(29)20-12-14-21(15-13-20)34(2,30)31/h6-8,10-15,18H,3-5,9,16-17H2,1-2H3