methyl 2-[4-(4,5-dihydro-1,3-thiazol-2-ylcarbamoyl)piperidin-1-yl]sulfonylbenzoate

Systemtic Name: methyl 2-[4-(4,5-dihydro-1,3-thiazol-2-ylcarbamoyl)piperidin-1-yl]sulfonylbenzoate Openeye Name: methyl 2-[[4-(4,5-dihydrothiazol-2-ylcarbamoyl)-1-piperidyl]sulfonyl]benzoate CAS Name: 2-[[4-[(4,5-dihydrothiazol-2-ylamino)-oxomethyl]-1-piperidinyl]sulfonyl]benzoic acid methyl ester IUPAC Name: methyl 2-[4-(4,5-dihydro-1,3-thiazol-2-ylcarbamoyl)piperidin-1-yl]sulfonylbenzoate Traditional Name: 2-[4-(2-thiazolin-2-ylcarbamoyl)piperidino]sulfonylbenzoic acid methyl ester Formula: C17H21N3O5S2 MolecularWeight: 411.49574

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1S(=O)(=O)N2CCC(CC2)C(=O)NC3=NCCS3

Isomeric SMILES

COC(=O)C1=CC=CC=C1S(=O)(=O)N2CCC(CC2)C(=O)NC3=NCCS3

InChI

InChI=1S/C17H21N3O5S2/c1-25-16(22)13-4-2-3-5-14(13)27(23,24)20-9-6-12(7-10-20)15(21)19-17-18-8-11-26-17/h2-5,12H,6-11H2,1H3,(H,18,19,21)