2-[(4-but-2-ynoxyphenyl)sulfonyl-methyl-amino]-N-oxidanyl-3-(pyridin-3-ylmethylsulfanyl)butanamide

Systemtic Name: 2-[(4-but-2-ynoxyphenyl)sulfonyl-methyl-amino]-N-oxidanyl-3-(pyridin-3-ylmethylsulfanyl)butanamide Openeye Name: 2-[(4-but-2-ynoxyphenyl)sulfonyl-methyl-amino]-3-(3-pyridylmethylsulfanyl)butanehydroxamic acid CAS Name: 2-[(4-but-2-ynoxyphenyl)sulfonyl-methylamino]-N-hydroxy-3-(3-pyridinylmethylthio)butanamide IUPAC Name: 2-[(4-but-2-ynoxyphenyl)sulfonyl-methylamino]-N-hydroxy-3-(pyridin-3-ylmethylsulfanyl)butanamide Traditional Name: 2-[(4-but-2-ynoxyphenyl)sulfonyl-methyl-amino]-3-(3-pyridylmethylthio)butanehydroxamic acid Formula: C21H25N3O5S2 MolecularWeight: 463.5703

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=C(C=C1)S(=O)(=O)N(C)C(C(C)SCC2=CN=CC=C2)C(=O)NO

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)S(=O)(=O)N(C)C(C(C)SCC2=CN=CC=C2)C(=O)NO

InChI

InChI=1S/C21H25N3O5S2/c1-4-5-13-29-18-8-10-19(11-9-18)31(27,28)24(3)20(21(25)23-26)16(2)30-15-17-7-6-12-22-14-17/h6-12,14,16,20,26H,13,15H2,1-3H3,(H,23,25)