N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-yl-ethyl]-1-methylsulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-yl-ethyl]-1-methylsulfonyl-piperidine-4-carboxamide Openeye Name: N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-yl-ethyl]-1-methylsulfonyl-piperidine-4-carboxamide CAS Name: N-[2-(3-methoxyphenyl)-2-(1-pyrrolidinyl)ethyl]-1-methylsulfonyl-4-piperidinecarboxamide IUPAC Name: N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1-methylsulfonylpiperidine-4-carboxamide Traditional Name: 1-mesyl-N-[2-(3-methoxyphenyl)-2-pyrrolidino-ethyl]isonipecotamide Formula: C20H31N3O4S MolecularWeight: 409.54284

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(CNC(=O)C2CCN(CC2)S(=O)(=O)C)N3CCCC3

Isomeric SMILES

COC1=CC=CC(=C1)C(CNC(=O)C2CCN(CC2)S(=O)(=O)C)N3CCCC3

InChI

InChI=1S/C20H31N3O4S/c1-27-18-7-5-6-17(14-18)19(22-10-3-4-11-22)15-21-20(24)16-8-12-23(13-9-16)28(2,25)26/h5-7,14,16,19H,3-4,8-13,15H2,1-2H3,(H,21,24)