N-[cyclopropyl(phenyl)methyl]-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperidine-4-carboxamide

Systemtic Name: N-[cyclopropyl(phenyl)methyl]-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperidine-4-carboxamide Openeye Name: N-[cyclopropyl(phenyl)methyl]-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperidine-4-carboxamide CAS Name: N-[cyclopropyl(phenyl)methyl]-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-4-piperidinecarboxamide IUPAC Name: N-[cyclopropyl(phenyl)methyl]-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperidine-4-carboxamide Traditional Name: N-[cyclopropyl(phenyl)methyl]-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)isonipecotamide Formula: C25H30N2O5S MolecularWeight: 470.5811

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)S(=O)(=O)N3CCC(CC3)C(=O)NC(C4CC4)C5=CC=CC=C5)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)N3CCC(CC3)C(=O)NC(C4CC4)C5=CC=CC=C5)OC1

InChI

InChI=1S/C25H30N2O5S/c28-25(26-24(19-7-8-19)18-5-2-1-3-6-18)20-11-13-27(14-12-20)33(29,30)21-9-10-22-23(17-21)32-16-4-15-31-22/h1-3,5-6,9-10,17,19-20,24H,4,7-8,11-16H2,(H,26,28)