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

Systemtic Name: N-[[2-(4-but-2-ynoxyphenyl)sulfonylpyridin-3-yl]methylamino]-N-oxidanyl-3-(phenylmethylsulfanyl)propanamide Openeye Name: 3-benzylsulfanyl-N-[[2-(4-but-2-ynoxyphenyl)sulfonyl-3-pyridyl]methylamino]-N-hydroxy-propanamide CAS Name: N-[[2-(4-but-2-ynoxyphenyl)sulfonyl-3-pyridinyl]methylamino]-N-hydroxy-3-(phenylmethylthio)propanamide IUPAC Name: 3-benzylsulfanyl-N-[[2-(4-but-2-ynoxyphenyl)sulfonylpyridin-3-yl]methylamino]-N-hydroxypropanamide Traditional Name: 3-(benzylthio)-N-[[2-(4-but-2-ynoxyphenyl)sulfonyl-3-pyridyl]methylamino]-N-hydroxy-propionamide 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)CNN(C(=O)CCSCC3=CC=CC=C3)O

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)S(=O)(=O)C2=C(C=CC=N2)CNN(C(=O)CCSCC3=CC=CC=C3)O

InChI

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