4-[[(4-methylphenyl)sulfonylamino]methyl]-N-[2-oxidanylidene-2-(pyridin-4-ylmethylamino)ethyl]cyclohexane-1-carboxamide

Systemtic Name: 4-[[(4-methylphenyl)sulfonylamino]methyl]-N-[2-oxidanylidene-2-(pyridin-4-ylmethylamino)ethyl]cyclohexane-1-carboxamide Openeye Name: N-[2-oxo-2-(4-pyridylmethylamino)ethyl]-4-[(p-tolylsulfonylamino)methyl]cyclohexanecarboxamide CAS Name: 4-[[(4-methylphenyl)sulfonylamino]methyl]-N-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]-1-cyclohexanecarboxamide IUPAC Name: 4-[[(4-methylphenyl)sulfonylamino]methyl]-N-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]cyclohexane-1-carboxamide Traditional Name: N-[2-keto-2-(4-pyridylmethylamino)ethyl]-4-[(tosylamino)methyl]cyclohexanecarboxamide Formula: C23H30N4O4S MolecularWeight: 458.5737

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCC2CCC(CC2)C(=O)NCC(=O)NCC3=CC=NC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCC2CCC(CC2)C(=O)NCC(=O)NCC3=CC=NC=C3

InChI

InChI=1S/C23H30N4O4S/c1-17-2-8-21(9-3-17)32(30,31)27-15-18-4-6-20(7-5-18)23(29)26-16-22(28)25-14-19-10-12-24-13-11-19/h2-3,8-13,18,20,27H,4-7,14-16H2,1H3,(H,25,28)(H,26,29)