methyl 4-[2-[4-(4-methoxyphenyl)sulfonylbutanoylamino]-1,3-thiazol-4-yl]benzoate

Systemtic Name: methyl 4-[2-[4-(4-methoxyphenyl)sulfonylbutanoylamino]-1,3-thiazol-4-yl]benzoate Openeye Name: methyl 4-[2-[4-(4-methoxyphenyl)sulfonylbutanoylamino]thiazol-4-yl]benzoate CAS Name: 4-[2-[[4-(4-methoxyphenyl)sulfonyl-1-oxobutyl]amino]-4-thiazolyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-[4-(4-methoxyphenyl)sulfonylbutanoylamino]-1,3-thiazol-4-yl]benzoate Traditional Name: 4-[2-[4-(4-methoxyphenyl)sulfonylbutanoylamino]thiazol-4-yl]benzoic acid methyl ester Formula: C22H22N2O6S2 MolecularWeight: 474.54988

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)CCCC(=O)NC2=NC(=CS2)C3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)CCCC(=O)NC2=NC(=CS2)C3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C22H22N2O6S2/c1-29-17-9-11-18(12-10-17)32(27,28)13-3-4-20(25)24-22-23-19(14-31-22)15-5-7-16(8-6-15)21(26)30-2/h5-12,14H,3-4,13H2,1-2H3,(H,23,24,25)