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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)COC(=O)C3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)COC(=O)C3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C25H28N2O5S2/c1-3-4-5-6-7-18-8-10-19(11-9-18)22-17-33-25(26-22)27-23(28)16-32-24(29)20-12-14-21(15-13-20)34(2,30)31/h8-15,17H,3-7,16H2,1-2H3,(H,26,27,28)