N-[1-(4-butoxyphenyl)ethyl]-4-[[(4-methylphenyl)sulfonylamino]methyl]cyclohexane-1-carboxamide

Systemtic Name: N-[1-(4-butoxyphenyl)ethyl]-4-[[(4-methylphenyl)sulfonylamino]methyl]cyclohexane-1-carboxamide Openeye Name: N-[1-(4-butoxyphenyl)ethyl]-4-[(p-tolylsulfonylamino)methyl]cyclohexanecarboxamide CAS Name: N-[1-(4-butoxyphenyl)ethyl]-4-[[(4-methylphenyl)sulfonylamino]methyl]-1-cyclohexanecarboxamide IUPAC Name: N-[1-(4-butoxyphenyl)ethyl]-4-[[(4-methylphenyl)sulfonylamino]methyl]cyclohexane-1-carboxamide Traditional Name: N-[1-(4-butoxyphenyl)ethyl]-4-[(tosylamino)methyl]cyclohexanecarboxamide Formula: C27H38N2O4S MolecularWeight: 486.66662

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(C)NC(=O)C2CCC(CC2)CNS(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(C)NC(=O)C2CCC(CC2)CNS(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C27H38N2O4S/c1-4-5-18-33-25-14-12-23(13-15-25)21(3)29-27(30)24-10-8-22(9-11-24)19-28-34(31,32)26-16-6-20(2)7-17-26/h6-7,12-17,21-22,24,28H,4-5,8-11,18-19H2,1-3H3,(H,29,30)