2-[[2-(4-but-2-ynoxyphenyl)sulfonylpyridin-3-yl]methylamino]-N-oxidanyl-3-(phenylmethylsulfanyl)propanamide

Systemtic Name: 2-[[2-(4-but-2-ynoxyphenyl)sulfonylpyridin-3-yl]methylamino]-N-oxidanyl-3-(phenylmethylsulfanyl)propanamide Openeye Name: 3-benzylsulfanyl-2-[[2-(4-but-2-ynoxyphenyl)sulfonyl-3-pyridyl]methylamino]propanehydroxamic acid CAS Name: 2-[[2-(4-but-2-ynoxyphenyl)sulfonyl-3-pyridinyl]methylamino]-N-hydroxy-3-(phenylmethylthio)propanamide IUPAC Name: 3-benzylsulfanyl-2-[[2-(4-but-2-ynoxyphenyl)sulfonylpyridin-3-yl]methylamino]-N-hydroxypropanamide Traditional Name: 3-(benzylthio)-2-[[2-(4-but-2-ynoxyphenyl)sulfonyl-3-pyridyl]methylamino]propanehydroxamic acid Formula: C26H27N3O5S2 MolecularWeight: 525.63968

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=C(C=C1)S(=O)(=O)C2=C(C=CC=N2)CNC(CSCC3=CC=CC=C3)C(=O)NO

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)S(=O)(=O)C2=C(C=CC=N2)CNC(CSCC3=CC=CC=C3)C(=O)NO

InChI

InChI=1S/C26H27N3O5S2/c1-2-3-16-34-22-11-13-23(14-12-22)36(32,33)26-21(10-7-15-27-26)17-28-24(25(30)29-31)19-35-18-20-8-5-4-6-9-20/h4-15,24,28,31H,16-19H2,1H3,(H,29,30)