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

Systemtic Name: N-[2-(4-dimethylaminophenyl)-2-pyrrolidin-1-yl-ethyl]-1-methylsulfonyl-piperidine-4-carboxamide Openeye Name: N-[2-(4-dimethylaminophenyl)-2-pyrrolidin-1-yl-ethyl]-1-methylsulfonyl-piperidine-4-carboxamide CAS Name: N-[2-(4-dimethylaminophenyl)-2-(1-pyrrolidinyl)ethyl]-1-methylsulfonyl-4-piperidinecarboxamide IUPAC Name: N-[2-(4-dimethylaminophenyl)-2-pyrrolidin-1-ylethyl]-1-methylsulfonylpiperidine-4-carboxamide Traditional Name: N-[2-(4-dimethylaminophenyl)-2-pyrrolidino-ethyl]-1-mesyl-isonipecotamide Formula: C21H34N4O3S MolecularWeight: 422.58466

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H34N4O3S/c1-23(2)19-8-6-17(7-9-19)20(24-12-4-5-13-24)16-22-21(26)18-10-14-25(15-11-18)29(3,27)28/h6-9,18,20H,4-5,10-16H2,1-3H3,(H,22,26)