N-[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-oxidanylidene-butyl]-2-oxidanylidene-3,4-dihydro-1H-quinoline-6-sulfonamide

Systemtic Name: N-[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-oxidanylidene-butyl]-2-oxidanylidene-3,4-dihydro-1H-quinoline-6-sulfonamide Openeye Name: N-[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-oxo-butyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide CAS Name: N-[4-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-4-oxobutyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide IUPAC Name: N-[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-oxobutyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide Traditional Name: 2-keto-N-[4-keto-4-(4-piperonylpiperazino)butyl]-3,4-dihydro-1H-quinoline-6-sulfonamide Formula: C25H30N4O6S MolecularWeight: 514.5939

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)NC2=C1C=C(C=C2)S(=O)(=O)NCCCC(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CC(=O)NC2=C1C=C(C=C2)S(=O)(=O)NCCCC(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C25H30N4O6S/c30-24-8-4-19-15-20(5-6-21(19)27-24)36(32,33)26-9-1-2-25(31)29-12-10-28(11-13-29)16-18-3-7-22-23(14-18)35-17-34-22/h3,5-7,14-15,26H,1-2,4,8-13,16-17H2,(H,27,30)