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

Systemtic Name: N-[1-cyclohexyl-6-methyl-3,4-bis(oxidanyl)heptan-2-yl]-2,6-dimethyl-3-(2-phenylsulfanylethanoylamino)benzamide Openeye Name: N-[1-(cyclohexylmethyl)-2,3-dihydroxy-5-methyl-hexyl]-2,6-dimethyl-3-[(2-phenylsulfanylacetyl)amino]benzamide CAS Name: N-(1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl)-2,6-dimethyl-3-[[1-oxo-2-(phenylthio)ethyl]amino]benzamide IUPAC Name: N-(1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl)-2,6-dimethyl-3-[(2-phenylsulfanylacetyl)amino]benzamide Traditional Name: N-[1-(cyclohexylmethyl)-2,3-dihydroxy-5-methyl-hexyl]-2,6-dimethyl-3-[[2-(phenylthio)acetyl]amino]benzamide Formula: C31H44N2O4S MolecularWeight: 540.75706

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)NC(=O)CSC2=CC=CC=C2)C)C(=O)NC(CC3CCCCC3)C(C(CC(C)C)O)O

Isomeric SMILES

CC1=C(C(=C(C=C1)NC(=O)CSC2=CC=CC=C2)C)C(=O)NC(CC3CCCCC3)C(C(CC(C)C)O)O

InChI

InChI=1S/C31H44N2O4S/c1-20(2)17-27(34)30(36)26(18-23-11-7-5-8-12-23)33-31(37)29-21(3)15-16-25(22(29)4)32-28(35)19-38-24-13-9-6-10-14-24/h6,9-10,13-16,20,23,26-27,30,34,36H,5,7-8,11-12,17-19H2,1-4H3,(H,32,35)(H,33,37)