6-[2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethanoylamino]-2-(4-but-2-ynoxyphenyl)sulfinyl-N-oxidanyl-hexanamide

Systemtic Name: 6-[2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethanoylamino]-2-(4-but-2-ynoxyphenyl)sulfinyl-N-oxidanyl-hexanamide Openeye Name: N-[5-(4-but-2-ynoxyphenyl)sulfinyl-6-(hydroxyamino)-6-oxo-hexyl]-2-(1,3-dioxoisoindolin-2-yl)acetamide CAS Name: 2-(4-but-2-ynoxyphenyl)sulfinyl-6-[[2-(1,3-dioxo-2-isoindolyl)-1-oxoethyl]amino]-N-hydroxyhexanamide IUPAC Name: 2-(4-but-2-ynoxyphenyl)sulfinyl-6-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-N-hydroxyhexanamide Traditional Name: N-[5-(4-but-2-ynoxyphenyl)sulfinyl-6-(hydroxyamino)-6-keto-hexyl]-2-phthalimido-acetamide Formula: C26H27N3O7S MolecularWeight: 525.57348

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=C(C=C1)S(=O)C(CCCCNC(=O)CN2C(=O)C3=CC=CC=C3C2=O)C(=O)NO

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)S(=O)C(CCCCNC(=O)CN2C(=O)C3=CC=CC=C3C2=O)C(=O)NO

InChI

InChI=1S/C26H27N3O7S/c1-2-3-16-36-18-11-13-19(14-12-18)37(35)22(24(31)28-34)10-6-7-15-27-23(30)17-29-25(32)20-8-4-5-9-21(20)26(29)33/h4-5,8-9,11-14,22,34H,6-7,10,15-17H2,1H3,(H,27,30)(H,28,31)