N-[1-(3,4-diethoxyphenyl)ethyl]-1-(4-methylphenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[1-(3,4-diethoxyphenyl)ethyl]-1-(4-methylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-[1-(3,4-diethoxyphenyl)ethyl]-1-(p-tolylsulfonyl)piperidine-4-carboxamide CAS Name: N-[1-(3,4-diethoxyphenyl)ethyl]-1-(4-methylphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[1-(3,4-diethoxyphenyl)ethyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-[1-(3,4-diethoxyphenyl)ethyl]-1-tosyl-isonipecotamide Formula: C25H34N2O5S MolecularWeight: 474.61286

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(C)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(C)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C)OCC

InChI

InChI=1S/C25H34N2O5S/c1-5-31-23-12-9-21(17-24(23)32-6-2)19(4)26-25(28)20-13-15-27(16-14-20)33(29,30)22-10-7-18(3)8-11-22/h7-12,17,19-20H,5-6,13-16H2,1-4H3,(H,26,28)