2-[(4-but-2-ynoxyphenyl)sulfonylmethyl-pyridin-3-yl-amino]-N-oxidanyl-3-(phenylmethylsulfanyl)propanamide

Systemtic Name: 2-[(4-but-2-ynoxyphenyl)sulfonylmethyl-pyridin-3-yl-amino]-N-oxidanyl-3-(phenylmethylsulfanyl)propanamide Openeye Name: 3-benzylsulfanyl-2-[(4-but-2-ynoxyphenyl)sulfonylmethyl-(3-pyridyl)amino]propanehydroxamic acid CAS Name: 2-[(4-but-2-ynoxyphenyl)sulfonylmethyl-(3-pyridinyl)amino]-N-hydroxy-3-(phenylmethylthio)propanamide IUPAC Name: 3-benzylsulfanyl-2-[(4-but-2-ynoxyphenyl)sulfonylmethyl-pyridin-3-ylamino]-N-hydroxypropanamide Traditional Name: 3-(benzylthio)-2-[(4-but-2-ynoxyphenyl)sulfonylmethyl-(3-pyridyl)amino]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)CN(C2=CN=CC=C2)C(CSCC3=CC=CC=C3)C(=O)NO

Isomeric SMILES

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

InChI

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