N-[3-oxidanylidene-3-[4-(phenylcarbonyl)piperazin-1-yl]propyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide

Systemtic Name: N-[3-oxidanylidene-3-[4-(phenylcarbonyl)piperazin-1-yl]propyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Openeye Name: N-[3-(4-benzoylpiperazin-1-yl)-3-oxo-propyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide CAS Name: N-[3-(4-benzoyl-1-piperazinyl)-3-oxopropyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide IUPAC Name: N-[3-(4-benzoylpiperazin-1-yl)-3-oxopropyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Traditional Name: N-[3-(4-benzoylpiperazino)-3-keto-propyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide Formula: C23H27N3O6S MolecularWeight: 473.54198

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)S(=O)(=O)NCCC(=O)N3CCN(CC3)C(=O)C4=CC=CC=C4)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)NCCC(=O)N3CCN(CC3)C(=O)C4=CC=CC=C4)OC1

InChI

InChI=1S/C23H27N3O6S/c27-22(25-11-13-26(14-12-25)23(28)18-5-2-1-3-6-18)9-10-24-33(29,30)19-7-8-20-21(17-19)32-16-4-15-31-20/h1-3,5-8,17,24H,4,9-16H2