N-[[2-(diethylaminomethyl)phenyl]methyl]-1-(4-methylphenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[[2-(diethylaminomethyl)phenyl]methyl]-1-(4-methylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-[[2-(diethylaminomethyl)phenyl]methyl]-1-(p-tolylsulfonyl)piperidine-4-carboxamide CAS Name: N-[[2-(diethylaminomethyl)phenyl]methyl]-1-(4-methylphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[[2-(diethylaminomethyl)phenyl]methyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-[2-(diethylaminomethyl)benzyl]-1-tosyl-isonipecotamide Formula: C25H35N3O3S MolecularWeight: 457.6287

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC1=CC=CC=C1CNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCN(CC)CC1=CC=CC=C1CNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C25H35N3O3S/c1-4-27(5-2)19-23-9-7-6-8-22(23)18-26-25(29)21-14-16-28(17-15-21)32(30,31)24-12-10-20(3)11-13-24/h6-13,21H,4-5,14-19H2,1-3H3,(H,26,29)