1-(3,4-dimethylphenyl)sulfonyl-N-(2-pyrrolidin-1-ylbutyl)piperidine-4-carboxamide

Systemtic Name: 1-(3,4-dimethylphenyl)sulfonyl-N-(2-pyrrolidin-1-ylbutyl)piperidine-4-carboxamide Openeye Name: 1-(3,4-dimethylphenyl)sulfonyl-N-(2-pyrrolidin-1-ylbutyl)piperidine-4-carboxamide CAS Name: 1-(3,4-dimethylphenyl)sulfonyl-N-[2-(1-pyrrolidinyl)butyl]-4-piperidinecarboxamide IUPAC Name: 1-(3,4-dimethylphenyl)sulfonyl-N-(2-pyrrolidin-1-ylbutyl)piperidine-4-carboxamide Traditional Name: 1-(3,4-dimethylphenyl)sulfonyl-N-(2-pyrrolidinobutyl)isonipecotamide Formula: C22H35N3O3S MolecularWeight: 421.5966

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CNC(=O)C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)C)C)N3CCCC3

Isomeric SMILES

CCC(CNC(=O)C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)C)C)N3CCCC3

InChI

InChI=1S/C22H35N3O3S/c1-4-20(24-11-5-6-12-24)16-23-22(26)19-9-13-25(14-10-19)29(27,28)21-8-7-17(2)18(3)15-21/h7-8,15,19-20H,4-6,9-14,16H2,1-3H3,(H,23,26)