N-[1-(3,4-dimethoxyphenyl)ethyl]-1-(phenylmethyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[1-(3,4-dimethoxyphenyl)ethyl]-1-(phenylmethyl)sulfonyl-piperidine-4-carboxamide Openeye Name: 1-benzylsulfonyl-N-[1-(3,4-dimethoxyphenyl)ethyl]piperidine-4-carboxamide CAS Name: N-[1-(3,4-dimethoxyphenyl)ethyl]-1-(phenylmethyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: 1-benzylsulfonyl-N-[1-(3,4-dimethoxyphenyl)ethyl]piperidine-4-carboxamide Traditional Name: 1-benzylsulfonyl-N-[1-(3,4-dimethoxyphenyl)ethyl]isonipecotamide Formula: C23H30N2O5S MolecularWeight: 446.5597

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=C(C=C1)OC)OC)NC(=O)C2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

CC(C1=CC(=C(C=C1)OC)OC)NC(=O)C2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C23H30N2O5S/c1-17(20-9-10-21(29-2)22(15-20)30-3)24-23(26)19-11-13-25(14-12-19)31(27,28)16-18-7-5-4-6-8-18/h4-10,15,17,19H,11-14,16H2,1-3H3,(H,24,26)