4-[[(4-methoxyphenyl)sulfonylamino]methyl]-N-[(2S)-1-(2-methylpropylamino)-1-oxidanylidene-propan-2-yl]cyclohexane-1-carboxamide

Systemtic Name: 4-[[(4-methoxyphenyl)sulfonylamino]methyl]-N-[(2S)-1-(2-methylpropylamino)-1-oxidanylidene-propan-2-yl]cyclohexane-1-carboxamide Openeye Name: N-[(1S)-2-(isobutylamino)-1-methyl-2-oxo-ethyl]-4-[[(4-methoxyphenyl)sulfonylamino]methyl]cyclohexanecarboxamide CAS Name: 4-[[(4-methoxyphenyl)sulfonylamino]methyl]-N-[(2S)-1-(2-methylpropylamino)-1-oxopropan-2-yl]-1-cyclohexanecarboxamide IUPAC Name: 4-[[(4-methoxyphenyl)sulfonylamino]methyl]-N-[(2S)-1-(2-methylpropylamino)-1-oxopropan-2-yl]cyclohexane-1-carboxamide Traditional Name: N-[(1S)-2-(isobutylamino)-2-keto-1-methyl-ethyl]-4-[[(4-methoxyphenyl)sulfonylamino]methyl]cyclohexanecarboxamide Formula: C22H35N3O5S MolecularWeight: 453.5954

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C(C)NC(=O)C1CCC(CC1)CNS(=O)(=O)C2=CC=C(C=C2)OC

Isomeric SMILES

C[C@@H](C(=O)NCC(C)C)NC(=O)C1CCC(CC1)CNS(=O)(=O)C2=CC=C(C=C2)OC

InChI

InChI=1S/C22H35N3O5S/c1-15(2)13-23-21(26)16(3)25-22(27)18-7-5-17(6-8-18)14-24-31(28,29)20-11-9-19(30-4)10-12-20/h9-12,15-18,24H,5-8,13-14H2,1-4H3,(H,23,26)(H,25,27)/t16-,17?,18?/m0/s1