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

Systemtic Name: N-[3-(benzimidazol-1-yl)propyl]-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperidine-4-carboxamide Openeye Name: N-[3-(benzimidazol-1-yl)propyl]-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperidine-4-carboxamide CAS Name: N-[3-(1-benzimidazolyl)propyl]-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-4-piperidinecarboxamide IUPAC Name: N-[3-(benzimidazol-1-yl)propyl]-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperidine-4-carboxamide Traditional Name: N-[3-(benzimidazol-1-yl)propyl]-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)isonipecotamide Formula: C25H30N4O5S MolecularWeight: 498.5945

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)S(=O)(=O)N3CCC(CC3)C(=O)NCCCN4C=NC5=CC=CC=C54)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)N3CCC(CC3)C(=O)NCCCN4C=NC5=CC=CC=C54)OC1

InChI

InChI=1S/C25H30N4O5S/c30-25(26-11-3-12-28-18-27-21-5-1-2-6-22(21)28)19-9-13-29(14-10-19)35(31,32)20-7-8-23-24(17-20)34-16-4-15-33-23/h1-2,5-8,17-19H,3-4,9-16H2,(H,26,30)