2-(4-but-2-ynoxyphenyl)sulfanyl-6-(2,2-diphenylethanoylamino)-N-oxidanyl-hexanamide

Systemtic Name: 2-(4-but-2-ynoxyphenyl)sulfanyl-6-(2,2-diphenylethanoylamino)-N-oxidanyl-hexanamide Openeye Name: N-[5-(4-but-2-ynoxyphenyl)sulfanyl-6-(hydroxyamino)-6-oxo-hexyl]-2,2-diphenyl-acetamide CAS Name: 2-[(4-but-2-ynoxyphenyl)thio]-N-hydroxy-6-[(1-oxo-2,2-diphenylethyl)amino]hexanamide IUPAC Name: 2-(4-but-2-ynoxyphenyl)sulfanyl-6-[(2,2-diphenylacetyl)amino]-N-hydroxyhexanamide Traditional Name: N-[5-[(4-but-2-ynoxyphenyl)thio]-6-(hydroxyamino)-6-keto-hexyl]-2,2-diphenyl-acetamide Formula: C30H32N2O4S MolecularWeight: 516.65108

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=C(C=C1)SC(CCCCNC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)NO

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)SC(CCCCNC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)NO

InChI

InChI=1S/C30H32N2O4S/c1-2-3-22-36-25-17-19-26(20-18-25)37-27(29(33)32-35)16-10-11-21-31-30(34)28(23-12-6-4-7-13-23)24-14-8-5-9-15-24/h4-9,12-15,17-20,27-28,35H,10-11,16,21-22H2,1H3,(H,31,34)(H,32,33)