N-(1,3-benzodioxol-5-ylmethyl)-N-[2-(1,4-diazepan-1-yl)-2-oxidanylidene-ethyl]quinoline-8-sulfonamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[2-(1,4-diazepan-1-yl)-2-oxidanylidene-ethyl]quinoline-8-sulfonamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[2-(1,4-diazepan-1-yl)-2-oxo-ethyl]quinoline-8-sulfonamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[2-(1,4-diazepan-1-yl)-2-oxoethyl]-8-quinolinesulfonamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[2-(1,4-diazepan-1-yl)-2-oxoethyl]quinoline-8-sulfonamide Traditional Name: N-[2-(1,4-diazepan-1-yl)-2-keto-ethyl]-N-piperonyl-quinoline-8-sulfonamide Formula: C24H26N4O5S MolecularWeight: 482.55204

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)C(=O)CN(CC2=CC3=C(C=C2)OCO3)S(=O)(=O)C4=CC=CC5=C4N=CC=C5

Isomeric SMILES

C1CNCCN(C1)C(=O)CN(CC2=CC3=C(C=C2)OCO3)S(=O)(=O)C4=CC=CC5=C4N=CC=C5

InChI

InChI=1S/C24H26N4O5S/c29-23(27-12-3-9-25-11-13-27)16-28(15-18-7-8-20-21(14-18)33-17-32-20)34(30,31)22-6-1-4-19-5-2-10-26-24(19)22/h1-2,4-8,10,14,25H,3,9,11-13,15-17H2