N-[(4-cyanophenyl)methyl]-1-[2-[(4-methylsulfonylphenyl)-phenyl-amino]ethyl]piperidine-4-carboxamide

Systemtic Name: N-[(4-cyanophenyl)methyl]-1-[2-[(4-methylsulfonylphenyl)-phenyl-amino]ethyl]piperidine-4-carboxamide Openeye Name: N-[(4-cyanophenyl)methyl]-1-[2-(N-(4-methylsulfonylphenyl)anilino)ethyl]piperidine-4-carboxamide CAS Name: N-[(4-cyanophenyl)methyl]-1-[2-(N-(4-methylsulfonylphenyl)anilino)ethyl]-4-piperidinecarboxamide IUPAC Name: N-[(4-cyanophenyl)methyl]-1-[2-(N-(4-methylsulfonylphenyl)anilino)ethyl]piperidine-4-carboxamide Traditional Name: N-(4-cyanobenzyl)-1-[2-(N-(4-mesylphenyl)anilino)ethyl]isonipecotamide Formula: C29H32N4O3S MolecularWeight: 516.65438

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)N(CCN2CCC(CC2)C(=O)NCC3=CC=C(C=C3)C#N)C4=CC=CC=C4

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)N(CCN2CCC(CC2)C(=O)NCC3=CC=C(C=C3)C#N)C4=CC=CC=C4

InChI

InChI=1S/C29H32N4O3S/c1-37(35,36)28-13-11-27(12-14-28)33(26-5-3-2-4-6-26)20-19-32-17-15-25(16-18-32)29(34)31-22-24-9-7-23(21-30)8-10-24/h2-14,25H,15-20,22H2,1H3,(H,31,34)