N-cyclohexylcyclohexanamine; 1-[2-methyl-3-(phenylcarbonylsulfanyl)propanoyl]-2,3-dihydroindole-2-carboxylic acid

Systemtic Name: N-cyclohexylcyclohexanamine; 1-[2-methyl-3-(phenylcarbonylsulfanyl)propanoyl]-2,3-dihydroindole-2-carboxylic acid Openeye Name: 1-(3-benzoylsulfanyl-2-methyl-propanoyl)indoline-2-carboxylic acid; N-cyclohexylcyclohexanamine CAS Name: 1-[3-(benzoylthio)-2-methyl-1-oxopropyl]-2,3-dihydroindole-2-carboxylic acid; N-cyclohexylcyclohexanamine IUPAC Name: 1-(3-benzoylsulfanyl-2-methylpropanoyl)-2,3-dihydroindole-2-carboxylic acid; N-cyclohexylcyclohexanamine Traditional Name: 1-[3-(benzoylthio)-2-methyl-propanoyl]indoline-2-carboxylic acid; dicyclohexylamine Formula: C32H42N2O4S MolecularWeight: 550.75188

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSC(=O)C1=CC=CC=C1)C(=O)N2C(CC3=CC=CC=C32)C(=O)O.C1CCC(CC1)NC2CCCCC2

Isomeric SMILES

CC(CSC(=O)C1=CC=CC=C1)C(=O)N2C(CC3=CC=CC=C32)C(=O)O.C1CCC(CC1)NC2CCCCC2

InChI

InChI=1S/C20H19NO4S.C12H23N/c1-13(12-26-20(25)14-7-3-2-4-8-14)18(22)21-16-10-6-5-9-15(16)11-17(21)19(23)24;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h2-10,13,17H,11-12H2,1H3,(H,23,24);11-13H,1-10H2