methyl 4-[2-[4-(phenylsulfonyl)butanoylamino]-1,3-thiazol-4-yl]benzoate

Systemtic Name: methyl 4-[2-[4-(phenylsulfonyl)butanoylamino]-1,3-thiazol-4-yl]benzoate Openeye Name: methyl 4-[2-[4-(benzenesulfonyl)butanoylamino]thiazol-4-yl]benzoate CAS Name: 4-[2-[[4-(benzenesulfonyl)-1-oxobutyl]amino]-4-thiazolyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-[4-(benzenesulfonyl)butanoylamino]-1,3-thiazol-4-yl]benzoate Traditional Name: 4-[2-(4-besylbutanoylamino)thiazol-4-yl]benzoic acid methyl ester Formula: C21H20N2O5S2 MolecularWeight: 444.5239

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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)C3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C21H20N2O5S2/c1-28-20(25)16-11-9-15(10-12-16)18-14-29-21(22-18)23-19(24)8-5-13-30(26,27)17-6-3-2-4-7-17/h2-4,6-7,9-12,14H,5,8,13H2,1H3,(H,22,23,24)