5-(4-but-2-ynoxyphenyl)sulfinyl-3-[6-(oxidanylamino)-6-oxidanylidene-hexyl]-2-phenethyl-benzamide

Systemtic Name: 5-(4-but-2-ynoxyphenyl)sulfinyl-3-[6-(oxidanylamino)-6-oxidanylidene-hexyl]-2-phenethyl-benzamide Openeye Name: 5-(4-but-2-ynoxyphenyl)sulfinyl-3-[6-(hydroxyamino)-6-oxo-hexyl]-2-phenethyl-benzamide CAS Name: 5-(4-but-2-ynoxyphenyl)sulfinyl-3-[6-(hydroxyamino)-6-oxohexyl]-2-phenethylbenzamide IUPAC Name: 5-(4-but-2-ynoxyphenyl)sulfinyl-3-[6-(hydroxyamino)-6-oxohexyl]-2-phenethylbenzamide Traditional Name: 5-(4-but-2-ynoxyphenyl)sulfinyl-3-[6-(hydroxyamino)-6-keto-hexyl]-2-phenethyl-benzamide Formula: C31H34N2O5S MolecularWeight: 546.67706

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=C(C=C1)S(=O)C2=CC(=C(C(=C2)C(=O)N)CCC3=CC=CC=C3)CCCCCC(=O)NO

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)S(=O)C2=CC(=C(C(=C2)C(=O)N)CCC3=CC=CC=C3)CCCCCC(=O)NO

InChI

InChI=1S/C31H34N2O5S/c1-2-3-20-38-25-15-17-26(18-16-25)39(37)27-21-24(12-8-5-9-13-30(34)33-36)28(29(22-27)31(32)35)19-14-23-10-6-4-7-11-23/h4,6-7,10-11,15-18,21-22,36H,5,8-9,12-14,19-20H2,1H3,(H2,32,35)(H,33,34)