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

Systemtic Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-(3-pyrrolidin-1-ylpropyl)piperidine-4-carboxamide Openeye Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-(3-pyrrolidin-1-ylpropyl)piperidine-4-carboxamide CAS Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-[3-(1-pyrrolidinyl)propyl]-4-piperidinecarboxamide IUPAC Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-(3-pyrrolidin-1-ylpropyl)piperidine-4-carboxamide Traditional Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-(3-pyrrolidinopropyl)isonipecotamide Formula: C22H33N3O5S MolecularWeight: 451.57952

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCCNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

C1CCN(C1)CCCNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C22H33N3O5S/c26-22(23-9-3-12-24-10-1-2-11-24)18-7-13-25(14-8-18)31(27,28)19-5-6-20-21(17-19)30-16-4-15-29-20/h5-6,17-18H,1-4,7-16H2,(H,23,26)