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

Systemtic Name: N-[1-[3-(1,3-benzodioxol-5-ylmethyl)-1,4-diazepan-1-yl]ethyl]-1-oxidanylidene-2H-isoquinoline-5-sulfonamide Openeye Name: N-[1-[3-(1,3-benzodioxol-5-ylmethyl)-1,4-diazepan-1-yl]ethyl]-1-oxo-2H-isoquinoline-5-sulfonamide CAS Name: N-[1-[3-(1,3-benzodioxol-5-ylmethyl)-1,4-diazepan-1-yl]ethyl]-1-oxo-2H-isoquinoline-5-sulfonamide IUPAC Name: N-[1-[3-(1,3-benzodioxol-5-ylmethyl)-1,4-diazepan-1-yl]ethyl]-1-oxo-2H-isoquinoline-5-sulfonamide Traditional Name: 1-keto-N-[1-(3-piperonyl-1,4-diazepan-1-yl)ethyl]-2H-isoquinoline-5-sulfonamide Formula: C24H28N4O5S MolecularWeight: 484.56792

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Descriptors Computed from Structure

Canonical SMILES:

CC(NS(=O)(=O)C1=CC=CC2=C1C=CNC2=O)N3CCCNC(C3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC(NS(=O)(=O)C1=CC=CC2=C1C=CNC2=O)N3CCCNC(C3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C24H28N4O5S/c1-16(27-34(30,31)23-5-2-4-20-19(23)8-10-26-24(20)29)28-11-3-9-25-18(14-28)12-17-6-7-21-22(13-17)33-15-32-21/h2,4-8,10,13,16,18,25,27H,3,9,11-12,14-15H2,1H3,(H,26,29)