4-[[(4-methylphenyl)sulfonylamino]methyl]-N-[(2R)-1-oxidanylidene-1-(pyridin-3-ylmethylamino)propan-2-yl]cyclohexane-1-carboxamide

Systemtic Name: 4-[[(4-methylphenyl)sulfonylamino]methyl]-N-[(2R)-1-oxidanylidene-1-(pyridin-3-ylmethylamino)propan-2-yl]cyclohexane-1-carboxamide Openeye Name: N-[(1R)-1-methyl-2-oxo-2-(3-pyridylmethylamino)ethyl]-4-[(p-tolylsulfonylamino)methyl]cyclohexanecarboxamide CAS Name: 4-[[(4-methylphenyl)sulfonylamino]methyl]-N-[(2R)-1-oxo-1-(3-pyridinylmethylamino)propan-2-yl]-1-cyclohexanecarboxamide IUPAC Name: 4-[[(4-methylphenyl)sulfonylamino]methyl]-N-[(2R)-1-oxo-1-(pyridin-3-ylmethylamino)propan-2-yl]cyclohexane-1-carboxamide Traditional Name: N-[(1R)-2-keto-1-methyl-2-(3-pyridylmethylamino)ethyl]-4-[(tosylamino)methyl]cyclohexanecarboxamide Formula: C24H32N4O4S MolecularWeight: 472.60028

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCC2CCC(CC2)C(=O)N[C@H](C)C(=O)NCC3=CN=CC=C3

InChI

InChI=1S/C24H32N4O4S/c1-17-5-11-22(12-6-17)33(31,32)27-16-19-7-9-21(10-8-19)24(30)28-18(2)23(29)26-15-20-4-3-13-25-14-20/h3-6,11-14,18-19,21,27H,7-10,15-16H2,1-2H3,(H,26,29)(H,28,30)/t18-,19?,21?/m1/s1