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

Systemtic Name: N-[2-[[5-(4-but-2-ynoxyphenyl)sulfinyl-6-(oxidanylamino)-6-oxidanylidene-hexyl]amino]-2-oxidanylidene-ethyl]-2-phenethyl-benzamide Openeye Name: N-[2-[[5-(4-but-2-ynoxyphenyl)sulfinyl-6-(hydroxyamino)-6-oxo-hexyl]amino]-2-oxo-ethyl]-2-phenethyl-benzamide CAS Name: N-[2-[[5-(4-but-2-ynoxyphenyl)sulfinyl-6-(hydroxyamino)-6-oxohexyl]amino]-2-oxoethyl]-2-phenethylbenzamide IUPAC Name: N-[2-[[5-(4-but-2-ynoxyphenyl)sulfinyl-6-(hydroxyamino)-6-oxohexyl]amino]-2-oxoethyl]-2-phenethylbenzamide Traditional Name: N-[2-[[5-(4-but-2-ynoxyphenyl)sulfinyl-6-(hydroxyamino)-6-keto-hexyl]amino]-2-keto-ethyl]-2-phenethyl-benzamide Formula: C33H37N3O6S MolecularWeight: 603.72838

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H37N3O6S/c1-2-3-23-42-27-18-20-28(21-19-27)43(41)30(33(39)36-40)15-9-10-22-34-31(37)24-35-32(38)29-14-8-7-13-26(29)17-16-25-11-5-4-6-12-25/h4-8,11-14,18-21,30,40H,9-10,15-17,22-24H2,1H3,(H,34,37)(H,35,38)(H,36,39)