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

Systemtic Name: methyl 4-[2-[4-(phenylmethyl)sulfonylbutanoylamino]-1,3-thiazol-4-yl]benzoate Openeye Name: methyl 4-[2-(4-benzylsulfonylbutanoylamino)thiazol-4-yl]benzoate CAS Name: 4-[2-[[1-oxo-4-(phenylmethyl)sulfonylbutyl]amino]-4-thiazolyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-(4-benzylsulfonylbutanoylamino)-1,3-thiazol-4-yl]benzoate Traditional Name: 4-[2-(4-benzylsulfonylbutanoylamino)thiazol-4-yl]benzoic acid methyl ester Formula: C22H22N2O5S2 MolecularWeight: 458.55048

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C2=CSC(=N2)NC(=O)CCCS(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C2=CSC(=N2)NC(=O)CCCS(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C22H22N2O5S2/c1-29-21(26)18-11-9-17(10-12-18)19-14-30-22(23-19)24-20(25)8-5-13-31(27,28)15-16-6-3-2-4-7-16/h2-4,6-7,9-12,14H,5,8,13,15H2,1H3,(H,23,24,25)