N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(phenylmethyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(phenylmethyl)sulfonyl-piperidine-4-carboxamide Openeye Name: 1-benzylsulfonyl-N-[2-(3,4-dimethoxyphenyl)ethyl]piperidine-4-carboxamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(phenylmethyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: 1-benzylsulfonyl-N-[2-(3,4-dimethoxyphenyl)ethyl]piperidine-4-carboxamide Traditional Name: 1-benzylsulfonyl-N-homoveratryl-isonipecotamide Formula: C23H30N2O5S MolecularWeight: 446.5597

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)C2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)C2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3)OC

InChI

InChI=1S/C23H30N2O5S/c1-29-21-9-8-18(16-22(21)30-2)10-13-24-23(26)20-11-14-25(15-12-20)31(27,28)17-19-6-4-3-5-7-19/h3-9,16,20H,10-15,17H2,1-2H3,(H,24,26)