N-[2-oxidanylidene-2-(pyridin-2-ylmethylamino)ethyl]-4-(phenylsulfonylaminomethyl)cyclohexane-1-carboxamide

Systemtic Name: N-[2-oxidanylidene-2-(pyridin-2-ylmethylamino)ethyl]-4-(phenylsulfonylaminomethyl)cyclohexane-1-carboxamide Openeye Name: 4-(benzenesulfonamidomethyl)-N-[2-oxo-2-(2-pyridylmethylamino)ethyl]cyclohexanecarboxamide CAS Name: 4-(benzenesulfonamidomethyl)-N-[2-oxo-2-(2-pyridinylmethylamino)ethyl]-1-cyclohexanecarboxamide IUPAC Name: 4-(benzenesulfonamidomethyl)-N-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]cyclohexane-1-carboxamide Traditional Name: 4-(benzenesulfonamidomethyl)-N-[2-keto-2-(2-pyridylmethylamino)ethyl]cyclohexanecarboxamide Formula: C22H28N4O4S MolecularWeight: 444.54712

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CNS(=O)(=O)C2=CC=CC=C2)C(=O)NCC(=O)NCC3=CC=CC=N3

Isomeric SMILES

C1CC(CCC1CNS(=O)(=O)C2=CC=CC=C2)C(=O)NCC(=O)NCC3=CC=CC=N3

InChI

InChI=1S/C22H28N4O4S/c27-21(24-15-19-6-4-5-13-23-19)16-25-22(28)18-11-9-17(10-12-18)14-26-31(29,30)20-7-2-1-3-8-20/h1-8,13,17-18,26H,9-12,14-16H2,(H,24,27)(H,25,28)