N-[2-(3,4-dimethoxyphenyl)ethyl]-1-pyrrolidin-1-ylsulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-1-pyrrolidin-1-ylsulfonyl-piperidine-4-carboxamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-1-pyrrolidin-1-ylsulfonyl-piperidine-4-carboxamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(1-pyrrolidinylsulfonyl)-4-piperidinecarboxamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide Traditional Name: N-homoveratryl-1-pyrrolidinosulfonyl-isonipecotamide Formula: C20H31N3O5S MolecularWeight: 425.54224

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)C2CCN(CC2)S(=O)(=O)N3CCCC3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)C2CCN(CC2)S(=O)(=O)N3CCCC3)OC

InChI

InChI=1S/C20H31N3O5S/c1-27-18-6-5-16(15-19(18)28-2)7-10-21-20(24)17-8-13-23(14-9-17)29(25,26)22-11-3-4-12-22/h5-6,15,17H,3-4,7-14H2,1-2H3,(H,21,24)