1-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylcarbamoyl)phenyl]sulfonylpiperidine-4-carboxamide

Systemtic Name: 1-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylcarbamoyl)phenyl]sulfonylpiperidine-4-carboxamide Openeye Name: 1-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylcarbamoyl)phenyl]sulfonylpiperidine-4-carboxamide CAS Name: 1-[3-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-oxomethyl]phenyl]sulfonyl-4-piperidinecarboxamide IUPAC Name: 1-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylcarbamoyl)phenyl]sulfonylpiperidine-4-carboxamide Traditional Name: 1-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylcarbamoyl)phenyl]sulfonylisonipecotamide Formula: C22H25N3O6S MolecularWeight: 459.5154

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)NC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCC(CC4)C(=O)N)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)NC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCC(CC4)C(=O)N)OC1

InChI

InChI=1S/C22H25N3O6S/c23-21(26)15-7-9-25(10-8-15)32(28,29)18-4-1-3-16(13-18)22(27)24-17-5-6-19-20(14-17)31-12-2-11-30-19/h1,3-6,13-15H,2,7-12H2,(H2,23,26)(H,24,27)