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

Systemtic Name: 2-[(4-but-2-ynoxyphenyl)sulfonyl-methyl-amino]-3-methyl-N-oxidanyl-3-propylsulfanyl-butanamide Openeye Name: 2-[(4-but-2-ynoxyphenyl)sulfonyl-methyl-amino]-3-methyl-3-propylsulfanyl-butanehydroxamic acid CAS Name: 2-[(4-but-2-ynoxyphenyl)sulfonyl-methylamino]-N-hydroxy-3-methyl-3-(propylthio)butanamide IUPAC Name: 2-[(4-but-2-ynoxyphenyl)sulfonyl-methylamino]-N-hydroxy-3-methyl-3-propylsulfanylbutanamide Traditional Name: 2-[(4-but-2-ynoxyphenyl)sulfonyl-methyl-amino]-3-methyl-3-(propylthio)butanehydroxamic acid Formula: C19H28N2O5S2 MolecularWeight: 428.56602

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H28N2O5S2/c1-6-8-13-26-15-9-11-16(12-10-15)28(24,25)21(5)17(18(22)20-23)19(3,4)27-14-7-2/h9-12,17,23H,7,13-14H2,1-5H3,(H,20,22)