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

Systemtic Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]piperidine-4-carboxamide Openeye Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]piperidine-4-carboxamide CAS Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-[2-[(1-methyl-2-imidazolyl)thio]ethyl]-4-piperidinecarboxamide IUPAC Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]piperidine-4-carboxamide Traditional Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-[2-[(1-methylimidazol-2-yl)thio]ethyl]isonipecotamide Formula: C21H28N4O5S2 MolecularWeight: 480.60082

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1SCCNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CN1C=CN=C1SCCNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C21H28N4O5S2/c1-24-11-7-23-21(24)31-14-8-22-20(26)16-5-9-25(10-6-16)32(27,28)17-3-4-18-19(15-17)30-13-2-12-29-18/h3-4,7,11,15-16H,2,5-6,8-10,12-14H2,1H3,(H,22,26)