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

Systemtic Name: 2-[(4-but-2-ynoxyphenyl)sulfonyl-methyl-amino]-3-ethylsulfanyl-3-methyl-N-oxidanyl-butanamide Openeye Name: 2-[(4-but-2-ynoxyphenyl)sulfonyl-methyl-amino]-3-ethylsulfanyl-3-methyl-butanehydroxamic acid CAS Name: 2-[(4-but-2-ynoxyphenyl)sulfonyl-methylamino]-3-(ethylthio)-N-hydroxy-3-methylbutanamide IUPAC Name: 2-[(4-but-2-ynoxyphenyl)sulfonyl-methylamino]-3-ethylsulfanyl-N-hydroxy-3-methylbutanamide Traditional Name: 2-[(4-but-2-ynoxyphenyl)sulfonyl-methyl-amino]-3-(ethylthio)-3-methyl-butanehydroxamic acid Formula: C18H26N2O5S2 MolecularWeight: 414.53944

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Descriptors Computed from Structure

Canonical SMILES:

CCSC(C)(C)C(C(=O)NO)N(C)S(=O)(=O)C1=CC=C(C=C1)OCC#CC

Isomeric SMILES

CCSC(C)(C)C(C(=O)NO)N(C)S(=O)(=O)C1=CC=C(C=C1)OCC#CC

InChI

InChI=1S/C18H26N2O5S2/c1-6-8-13-25-14-9-11-15(12-10-14)27(23,24)20(5)16(17(21)19-22)18(3,4)26-7-2/h9-12,16,22H,7,13H2,1-5H3,(H,19,21)