N-(1-azanyl-3-cyclohexyl-1-oxidanylidene-propan-2-yl)-1-(4-methoxyphenyl)sulfonyl-4-(2-methylsulfanylethanoylamino)piperidine-2-carboxamide

Systemtic Name: N-(1-azanyl-3-cyclohexyl-1-oxidanylidene-propan-2-yl)-1-(4-methoxyphenyl)sulfonyl-4-(2-methylsulfanylethanoylamino)piperidine-2-carboxamide Openeye Name: N-[2-amino-1-(cyclohexylmethyl)-2-oxo-ethyl]-1-(4-methoxyphenyl)sulfonyl-4-[(2-methylsulfanylacetyl)amino]piperidine-2-carboxamide CAS Name: N-(1-amino-3-cyclohexyl-1-oxopropan-2-yl)-1-(4-methoxyphenyl)sulfonyl-4-[[2-(methylthio)-1-oxoethyl]amino]-2-piperidinecarboxamide IUPAC Name: N-(1-amino-3-cyclohexyl-1-oxopropan-2-yl)-1-(4-methoxyphenyl)sulfonyl-4-[(2-methylsulfanylacetyl)amino]piperidine-2-carboxamide Traditional Name: N-[2-amino-1-(cyclohexylmethyl)-2-keto-ethyl]-1-(4-methoxyphenyl)sulfonyl-4-[[2-(methylthio)acetyl]amino]pipecolinamide Formula: C25H38N4O6S2 MolecularWeight: 554.72242

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2C(=O)NC(CC3CCCCC3)C(=O)N)NC(=O)CSC

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2C(=O)NC(CC3CCCCC3)C(=O)N)NC(=O)CSC

InChI

InChI=1S/C25H38N4O6S2/c1-35-19-8-10-20(11-9-19)37(33,34)29-13-12-18(27-23(30)16-36-2)15-22(29)25(32)28-21(24(26)31)14-17-6-4-3-5-7-17/h8-11,17-18,21-22H,3-7,12-16H2,1-2H3,(H2,26,31)(H,27,30)(H,28,32)