N-(3-butylsulfanylpropyl)-4-[[(4-methylphenyl)sulfonylamino]methyl]cyclohexane-1-carboxamide

Systemtic Name: N-(3-butylsulfanylpropyl)-4-[[(4-methylphenyl)sulfonylamino]methyl]cyclohexane-1-carboxamide Openeye Name: N-(3-butylsulfanylpropyl)-4-[(p-tolylsulfonylamino)methyl]cyclohexanecarboxamide CAS Name: N-[3-(butylthio)propyl]-4-[[(4-methylphenyl)sulfonylamino]methyl]-1-cyclohexanecarboxamide IUPAC Name: N-(3-butylsulfanylpropyl)-4-[[(4-methylphenyl)sulfonylamino]methyl]cyclohexane-1-carboxamide Traditional Name: N-[3-(butylthio)propyl]-4-[(tosylamino)methyl]cyclohexanecarboxamide Formula: C22H36N2O3S2 MolecularWeight: 440.66284

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSCCCNC(=O)C1CCC(CC1)CNS(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCCCSCCCNC(=O)C1CCC(CC1)CNS(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C22H36N2O3S2/c1-3-4-15-28-16-5-14-23-22(25)20-10-8-19(9-11-20)17-24-29(26,27)21-12-6-18(2)7-13-21/h6-7,12-13,19-20,24H,3-5,8-11,14-17H2,1-2H3,(H,23,25)