N-[1-cyclohexyl-6-methyl-3,4-bis(oxidanyl)heptan-2-yl]-2-(hydroxymethyl)-5-(2-phenylsulfanylethanoylamino)benzamide

Systemtic Name: N-[1-cyclohexyl-6-methyl-3,4-bis(oxidanyl)heptan-2-yl]-2-(hydroxymethyl)-5-(2-phenylsulfanylethanoylamino)benzamide Openeye Name: N-[1-(cyclohexylmethyl)-2,3-dihydroxy-5-methyl-hexyl]-2-(hydroxymethyl)-5-[(2-phenylsulfanylacetyl)amino]benzamide CAS Name: N-(1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl)-2-(hydroxymethyl)-5-[[1-oxo-2-(phenylthio)ethyl]amino]benzamide IUPAC Name: N-(1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl)-2-(hydroxymethyl)-5-[(2-phenylsulfanylacetyl)amino]benzamide Traditional Name: N-[1-(cyclohexylmethyl)-2,3-dihydroxy-5-methyl-hexyl]-2-methylol-5-[[2-(phenylthio)acetyl]amino]benzamide Formula: C30H42N2O5S MolecularWeight: 542.72988

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(C(CC1CCCCC1)NC(=O)C2=C(C=CC(=C2)NC(=O)CSC3=CC=CC=C3)CO)O)O

Isomeric SMILES

CC(C)CC(C(C(CC1CCCCC1)NC(=O)C2=C(C=CC(=C2)NC(=O)CSC3=CC=CC=C3)CO)O)O

InChI

InChI=1S/C30H42N2O5S/c1-20(2)15-27(34)29(36)26(16-21-9-5-3-6-10-21)32-30(37)25-17-23(14-13-22(25)18-33)31-28(35)19-38-24-11-7-4-8-12-24/h4,7-8,11-14,17,20-21,26-27,29,33-34,36H,3,5-6,9-10,15-16,18-19H2,1-2H3,(H,31,35)(H,32,37)