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

Systemtic Name: N-[1-cyclohexyl-6-methyl-3,4-bis(oxidanyl)heptan-2-yl]-3-(2-phenylsulfanylethanoylamino)benzamide Openeye Name: N-[1-(cyclohexylmethyl)-2,3-dihydroxy-5-methyl-hexyl]-3-[(2-phenylsulfanylacetyl)amino]benzamide CAS Name: N-(1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl)-3-[[1-oxo-2-(phenylthio)ethyl]amino]benzamide IUPAC Name: N-(1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl)-3-[(2-phenylsulfanylacetyl)amino]benzamide Traditional Name: N-[1-(cyclohexylmethyl)-2,3-dihydroxy-5-methyl-hexyl]-3-[[2-(phenylthio)acetyl]amino]benzamide Formula: C29H40N2O4S MolecularWeight: 512.7039

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H40N2O4S/c1-20(2)16-26(32)28(34)25(17-21-10-5-3-6-11-21)31-29(35)22-12-9-13-23(18-22)30-27(33)19-36-24-14-7-4-8-15-24/h4,7-9,12-15,18,20-21,25-26,28,32,34H,3,5-6,10-11,16-17,19H2,1-2H3,(H,30,33)(H,31,35)