1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-(3-methylsulfanylphenyl)piperidine-4-carboxamide

Systemtic Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-(3-methylsulfanylphenyl)piperidine-4-carboxamide Openeye Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-(3-methylsulfanylphenyl)piperidine-4-carboxamide CAS Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-[3-(methylthio)phenyl]-4-piperidinecarboxamide IUPAC Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-(3-methylsulfanylphenyl)piperidine-4-carboxamide Traditional Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-[3-(methylthio)phenyl]isonipecotamide Formula: C22H26N2O5S2 MolecularWeight: 462.58224

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CSC1=CC=CC(=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C22H26N2O5S2/c1-30-18-5-2-4-17(14-18)23-22(25)16-8-10-24(11-9-16)31(26,27)19-6-7-20-21(15-19)29-13-3-12-28-20/h2,4-7,14-16H,3,8-13H2,1H3,(H,23,25)