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

Systemtic Name: N-(3-butylsulfanylpropyl)-4-[[(4-chlorophenyl)sulfonylamino]methyl]cyclohexane-1-carboxamide Openeye Name: N-(3-butylsulfanylpropyl)-4-[[(4-chlorophenyl)sulfonylamino]methyl]cyclohexanecarboxamide CAS Name: N-[3-(butylthio)propyl]-4-[[(4-chlorophenyl)sulfonylamino]methyl]-1-cyclohexanecarboxamide IUPAC Name: N-(3-butylsulfanylpropyl)-4-[[(4-chlorophenyl)sulfonylamino]methyl]cyclohexane-1-carboxamide Traditional Name: N-[3-(butylthio)propyl]-4-[[(4-chlorophenyl)sulfonylamino]methyl]cyclohexanecarboxamide Formula: C21H33ClN2O3S2 MolecularWeight: 461.08132

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H33ClN2O3S2/c1-2-3-14-28-15-4-13-23-21(25)18-7-5-17(6-8-18)16-24-29(26,27)20-11-9-19(22)10-12-20/h9-12,17-18,24H,2-8,13-16H2,1H3,(H,23,25)