N-[1-(2-methylsulfonylphenyl)-3-oxidanylidene-piperidin-4-yl]-1-(3-phenylpropanoylamino)cyclohexane-1-carboxamide

Systemtic Name: N-[1-(2-methylsulfonylphenyl)-3-oxidanylidene-piperidin-4-yl]-1-(3-phenylpropanoylamino)cyclohexane-1-carboxamide Openeye Name: N-[1-(2-methylsulfonylphenyl)-3-oxo-4-piperidyl]-1-(3-phenylpropanoylamino)cyclohexanecarboxamide CAS Name: N-[1-(2-methylsulfonylphenyl)-3-oxo-4-piperidinyl]-1-[(1-oxo-3-phenylpropyl)amino]-1-cyclohexanecarboxamide IUPAC Name: N-[1-(2-methylsulfonylphenyl)-3-oxopiperidin-4-yl]-1-(3-phenylpropanoylamino)cyclohexane-1-carboxamide Traditional Name: 1-(hydrocinnamoylamino)-N-[3-keto-1-(2-mesylphenyl)-4-piperidyl]cyclohexanecarboxamide Formula: C28H35N3O5S MolecularWeight: 525.6596

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC=C1N2CCC(C(=O)C2)NC(=O)C3(CCCCC3)NC(=O)CCC4=CC=CC=C4

Isomeric SMILES

CS(=O)(=O)C1=CC=CC=C1N2CCC(C(=O)C2)NC(=O)C3(CCCCC3)NC(=O)CCC4=CC=CC=C4

InChI

InChI=1S/C28H35N3O5S/c1-37(35,36)25-13-7-6-12-23(25)31-19-16-22(24(32)20-31)29-27(34)28(17-8-3-9-18-28)30-26(33)15-14-21-10-4-2-5-11-21/h2,4-7,10-13,22H,3,8-9,14-20H2,1H3,(H,29,34)(H,30,33)