N-[2-(diethylamino)-3-methyl-butyl]-1-(4-methylphenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[2-(diethylamino)-3-methyl-butyl]-1-(4-methylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-[2-(diethylamino)-3-methyl-butyl]-1-(p-tolylsulfonyl)piperidine-4-carboxamide CAS Name: N-[2-(diethylamino)-3-methylbutyl]-1-(4-methylphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[2-(diethylamino)-3-methylbutyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-[2-(diethylamino)-3-methyl-butyl]-1-tosyl-isonipecotamide Formula: C22H37N3O3S MolecularWeight: 423.61248

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(CNC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C)C(C)C

Isomeric SMILES

CCN(CC)C(CNC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C)C(C)C

InChI

InChI=1S/C22H37N3O3S/c1-6-24(7-2)21(17(3)4)16-23-22(26)19-12-14-25(15-13-19)29(27,28)20-10-8-18(5)9-11-20/h8-11,17,19,21H,6-7,12-16H2,1-5H3,(H,23,26)