N-azanyl-2-(4-but-1-ynoxyphenyl)sulfonyl-3-methylsulfanyl-N-oxidanyl-propanamide

Systemtic Name: N-azanyl-2-(4-but-1-ynoxyphenyl)sulfonyl-3-methylsulfanyl-N-oxidanyl-propanamide Openeye Name: N-amino-2-(4-but-1-ynoxyphenyl)sulfonyl-N-hydroxy-3-methylsulfanyl-propanamide CAS Name: N-amino-2-(4-but-1-ynoxyphenyl)sulfonyl-N-hydroxy-3-(methylthio)propanamide IUPAC Name: N-amino-2-(4-but-1-ynoxyphenyl)sulfonyl-N-hydroxy-3-methylsulfanylpropanamide Traditional Name: N-amino-2-(4-but-1-ynoxyphenyl)sulfonyl-N-hydroxy-3-(methylthio)propionamide Formula: C14H18N2O5S2 MolecularWeight: 358.43312

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC#COC1=CC=C(C=C1)S(=O)(=O)C(CSC)C(=O)N(N)O

Isomeric SMILES

CCC#COC1=CC=C(C=C1)S(=O)(=O)C(CSC)C(=O)N(N)O

InChI

InChI=1S/C14H18N2O5S2/c1-3-4-9-21-11-5-7-12(8-6-11)23(19,20)13(10-22-2)14(17)16(15)18/h5-8,13,18H,3,10,15H2,1-2H3