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

Systemtic Name: N-[5-(4-but-2-ynoxyphenyl)sulfinyl-6-(oxidanylamino)-6-oxidanylidene-hexyl]-2-phenethyl-benzamide Openeye Name: N-[5-(4-but-2-ynoxyphenyl)sulfinyl-6-(hydroxyamino)-6-oxo-hexyl]-2-phenethyl-benzamide CAS Name: N-[5-(4-but-2-ynoxyphenyl)sulfinyl-6-(hydroxyamino)-6-oxohexyl]-2-phenethylbenzamide IUPAC Name: N-[5-(4-but-2-ynoxyphenyl)sulfinyl-6-(hydroxyamino)-6-oxohexyl]-2-phenethylbenzamide Traditional Name: N-[5-(4-but-2-ynoxyphenyl)sulfinyl-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)C(CCCCNC(=O)C2=CC=CC=C2CCC3=CC=CC=C3)C(=O)NO

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)S(=O)C(CCCCNC(=O)C2=CC=CC=C2CCC3=CC=CC=C3)C(=O)NO

InChI

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