1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-[2-(4-methylphenyl)sulfanylethyl]piperidine-4-carboxamide

Systemtic Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-[2-(4-methylphenyl)sulfanylethyl]piperidine-4-carboxamide Openeye Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-[2-(p-tolylsulfanyl)ethyl]piperidine-4-carboxamide CAS Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-[2-[(4-methylphenyl)thio]ethyl]-4-piperidinecarboxamide IUPAC Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-[2-(4-methylphenyl)sulfanylethyl]piperidine-4-carboxamide Traditional Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-[2-(p-tolylthio)ethyl]isonipecotamide Formula: C24H30N2O5S2 MolecularWeight: 490.6354

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CC1=CC=C(C=C1)SCCNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C24H30N2O5S2/c1-18-3-5-20(6-4-18)32-16-11-25-24(27)19-9-12-26(13-10-19)33(28,29)21-7-8-22-23(17-21)31-15-2-14-30-22/h3-8,17,19H,2,9-16H2,1H3,(H,25,27)