2-[[4-methyl-5-[[(4-piperidin-1-ylsulfonylphenyl)carbonylamino]methyl]-1,2,4-triazol-3-yl]sulfanyl]ethanoate

Systemtic Name: 2-[[4-methyl-5-[[(4-piperidin-1-ylsulfonylphenyl)carbonylamino]methyl]-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[4-methyl-5-[[[4-(1-piperidylsulfonyl)benzoyl]amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-methyl-5-[[[oxo-[4-(1-piperidinylsulfonyl)phenyl]methyl]amino]methyl]-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[4-methyl-5-[[(4-piperidin-1-ylsulfonylbenzoyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-methyl-5-[[(4-piperidinosulfonylbenzoyl)amino]methyl]-1,2,4-triazol-3-yl]thio]acetate Formula: C18H22N5O5S2- MolecularWeight: 452.52778

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)[O-])CNC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CN1C(=NN=C1SCC(=O)[O-])CNC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C18H23N5O5S2/c1-22-15(20-21-18(22)29-12-16(24)25)11-19-17(26)13-5-7-14(8-6-13)30(27,28)23-9-3-2-4-10-23/h5-8H,2-4,9-12H2,1H3,(H,19,26)(H,24,25)/p-1