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

Systemtic Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-[2-(dimethylamino)-2-thiophen-3-yl-ethyl]piperidine-4-carboxamide Openeye Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-[2-(dimethylamino)-2-(3-thienyl)ethyl]piperidine-4-carboxamide CAS Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-[2-(dimethylamino)-2-(3-thiophenyl)ethyl]-4-piperidinecarboxamide IUPAC Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]piperidine-4-carboxamide Traditional Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-[2-(dimethylamino)-2-(3-thienyl)ethyl]isonipecotamide Formula: C23H31N3O5S2 MolecularWeight: 493.63934

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(CNC(=O)C1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)OCCCO3)C4=CSC=C4

Isomeric SMILES

CN(C)C(CNC(=O)C1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)OCCCO3)C4=CSC=C4

InChI

InChI=1S/C23H31N3O5S2/c1-25(2)20(18-8-13-32-16-18)15-24-23(27)17-6-9-26(10-7-17)33(28,29)19-4-5-21-22(14-19)31-12-3-11-30-21/h4-5,8,13-14,16-17,20H,3,6-7,9-12,15H2,1-2H3,(H,24,27)