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

Systemtic Name: N-[2-(3,4-diethoxyphenyl)ethyl]-1-pyrrolidin-1-ylsulfonyl-piperidine-4-carboxamide Openeye Name: N-[2-(3,4-diethoxyphenyl)ethyl]-1-pyrrolidin-1-ylsulfonyl-piperidine-4-carboxamide CAS Name: N-[2-(3,4-diethoxyphenyl)ethyl]-1-(1-pyrrolidinylsulfonyl)-4-piperidinecarboxamide IUPAC Name: N-[2-(3,4-diethoxyphenyl)ethyl]-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide Traditional Name: N-[2-(3,4-diethoxyphenyl)ethyl]-1-pyrrolidinosulfonyl-isonipecotamide Formula: C22H35N3O5S MolecularWeight: 453.5954

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CCNC(=O)C2CCN(CC2)S(=O)(=O)N3CCCC3)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CCNC(=O)C2CCN(CC2)S(=O)(=O)N3CCCC3)OCC

InChI

InChI=1S/C22H35N3O5S/c1-3-29-20-8-7-18(17-21(20)30-4-2)9-12-23-22(26)19-10-15-25(16-11-19)31(27,28)24-13-5-6-14-24/h7-8,17,19H,3-6,9-16H2,1-2H3,(H,23,26)