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

Systemtic Name: N-[[4-(diethylaminomethyl)phenyl]methyl]-1-(4-ethanoylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: 1-(4-acetylphenyl)sulfonyl-N-[[4-(diethylaminomethyl)phenyl]methyl]piperidine-4-carboxamide CAS Name: 1-(4-acetylphenyl)sulfonyl-N-[[4-(diethylaminomethyl)phenyl]methyl]-4-piperidinecarboxamide IUPAC Name: 1-(4-acetylphenyl)sulfonyl-N-[[4-(diethylaminomethyl)phenyl]methyl]piperidine-4-carboxamide Traditional Name: 1-(4-acetylphenyl)sulfonyl-N-[4-(diethylaminomethyl)benzyl]isonipecotamide Formula: C26H35N3O4S MolecularWeight: 485.6388

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC1=CC=C(C=C1)CNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C(=O)C

Isomeric SMILES

CCN(CC)CC1=CC=C(C=C1)CNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C(=O)C

InChI

InChI=1S/C26H35N3O4S/c1-4-28(5-2)19-22-8-6-21(7-9-22)18-27-26(31)24-14-16-29(17-15-24)34(32,33)25-12-10-23(11-13-25)20(3)30/h6-13,24H,4-5,14-19H2,1-3H3,(H,27,31)