methyl 2-[2-[(5-piperidin-1-ylsulfonyl-1,3-benzoxazol-2-yl)sulfanyl]ethanoylamino]ethanoate

Systemtic Name: methyl 2-[2-[(5-piperidin-1-ylsulfonyl-1,3-benzoxazol-2-yl)sulfanyl]ethanoylamino]ethanoate Openeye Name: methyl 2-[[2-[[5-(1-piperidylsulfonyl)-1,3-benzoxazol-2-yl]sulfanyl]acetyl]amino]acetate CAS Name: 2-[[1-oxo-2-[[5-(1-piperidinylsulfonyl)-1,3-benzoxazol-2-yl]thio]ethyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[[2-[(5-piperidin-1-ylsulfonyl-1,3-benzoxazol-2-yl)sulfanyl]acetyl]amino]acetate Traditional Name: 2-[[2-[(5-piperidinosulfonyl-1,3-benzoxazol-2-yl)thio]acetyl]amino]acetic acid methyl ester Formula: C17H21N3O6S2 MolecularWeight: 427.49514

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CNC(=O)CSC1=NC2=C(O1)C=CC(=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

COC(=O)CNC(=O)CSC1=NC2=C(O1)C=CC(=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C17H21N3O6S2/c1-25-16(22)10-18-15(21)11-27-17-19-13-9-12(5-6-14(13)26-17)28(23,24)20-7-3-2-4-8-20/h5-6,9H,2-4,7-8,10-11H2,1H3,(H,18,21)