N-[(2S)-3-methyl-1-oxidanylidene-1-(pyridin-2-ylmethylamino)butan-2-yl]-4-(phenylsulfonylaminomethyl)cyclohexane-1-carboxamide

Systemtic Name: N-[(2S)-3-methyl-1-oxidanylidene-1-(pyridin-2-ylmethylamino)butan-2-yl]-4-(phenylsulfonylaminomethyl)cyclohexane-1-carboxamide Openeye Name: 4-(benzenesulfonamidomethyl)-N-[(1S)-2-methyl-1-(2-pyridylmethylcarbamoyl)propyl]cyclohexanecarboxamide CAS Name: 4-(benzenesulfonamidomethyl)-N-[(2S)-3-methyl-1-oxo-1-(2-pyridinylmethylamino)butan-2-yl]-1-cyclohexanecarboxamide IUPAC Name: 4-(benzenesulfonamidomethyl)-N-[(2S)-3-methyl-1-oxo-1-(pyridin-2-ylmethylamino)butan-2-yl]cyclohexane-1-carboxamide Traditional Name: 4-(benzenesulfonamidomethyl)-N-[(1S)-2-methyl-1-(2-pyridylmethylcarbamoyl)propyl]cyclohexanecarboxamide Formula: C25H34N4O4S MolecularWeight: 486.62686

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NCC1=CC=CC=N1)NC(=O)C2CCC(CC2)CNS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C)[C@@H](C(=O)NCC1=CC=CC=N1)NC(=O)C2CCC(CC2)CNS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C25H34N4O4S/c1-18(2)23(25(31)27-17-21-8-6-7-15-26-21)29-24(30)20-13-11-19(12-14-20)16-28-34(32,33)22-9-4-3-5-10-22/h3-10,15,18-20,23,28H,11-14,16-17H2,1-2H3,(H,27,31)(H,29,30)/t19?,20?,23-/m0/s1