3-[(4-butoxyphenyl)sulfonyl-[2-(6-sulfanylidenecyclohexa-1,3-dien-1-yl)ethyl]amino]-N-oxidanyl-propanamide

Systemtic Name: 3-[(4-butoxyphenyl)sulfonyl-[2-(6-sulfanylidenecyclohexa-1,3-dien-1-yl)ethyl]amino]-N-oxidanyl-propanamide Openeye Name: 3-[(4-butoxyphenyl)sulfonyl-[2-(6-thioxocyclohexa-1,3-dien-1-yl)ethyl]amino]propanehydroxamic acid CAS Name: 3-[(4-butoxyphenyl)sulfonyl-[2-(6-sulfanylidene-1-cyclohexa-1,3-dienyl)ethyl]amino]-N-hydroxypropanamide IUPAC Name: 3-[(4-butoxyphenyl)sulfonyl-[2-(6-sulfanylidenecyclohexa-1,3-dien-1-yl)ethyl]amino]-N-hydroxypropanamide Traditional Name: 3-[(4-butoxyphenyl)sulfonyl-[2-(6-thioxocyclohexa-1,3-dien-1-yl)ethyl]amino]propanehydroxamic acid Formula: C21H28N2O5S2 MolecularWeight: 452.58742

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)S(=O)(=O)N(CCC2=CC=CCC2=S)CCC(=O)NO

Isomeric SMILES

CCCCOC1=CC=C(C=C1)S(=O)(=O)N(CCC2=CC=CCC2=S)CCC(=O)NO

InChI

InChI=1S/C21H28N2O5S2/c1-2-3-16-28-18-8-10-19(11-9-18)30(26,27)23(15-13-21(24)22-25)14-12-17-6-4-5-7-20(17)29/h4-6,8-11,25H,2-3,7,12-16H2,1H3,(H,22,24)