N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxidanylidene-4-[4-(phenylsulfonyl)piperazin-1-yl]butanamide

Systemtic Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxidanylidene-4-[4-(phenylsulfonyl)piperazin-1-yl]butanamide Openeye Name: 4-[4-(benzenesulfonyl)piperazin-1-yl]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxo-butanamide CAS Name: 4-[4-(benzenesulfonyl)-1-piperazinyl]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxobutanamide IUPAC Name: 4-[4-(benzenesulfonyl)piperazin-1-yl]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxobutanamide Traditional Name: 4-(4-besylpiperazino)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-keto-butyramide Formula: C23H27N3O6S MolecularWeight: 473.54198

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27N3O6S/c27-22(24-18-7-8-20-21(17-18)32-16-4-15-31-20)9-10-23(28)25-11-13-26(14-12-25)33(29,30)19-5-2-1-3-6-19/h1-3,5-8,17H,4,9-16H2,(H,24,27)