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

Systemtic Name: N-[1-[4-(1,3-benzodioxol-5-ylmethyl)-1,4-diazepan-1-yl]ethyl]isoquinoline-5-sulfonamide Openeye Name: N-[1-[4-(1,3-benzodioxol-5-ylmethyl)-1,4-diazepan-1-yl]ethyl]isoquinoline-5-sulfonamide CAS Name: N-[1-[4-(1,3-benzodioxol-5-ylmethyl)-1,4-diazepan-1-yl]ethyl]-5-isoquinolinesulfonamide IUPAC Name: N-[1-[4-(1,3-benzodioxol-5-ylmethyl)-1,4-diazepan-1-yl]ethyl]isoquinoline-5-sulfonamide Traditional Name: N-[1-(4-piperonyl-1,4-diazepan-1-yl)ethyl]isoquinoline-5-sulfonamide Formula: C24H28N4O4S MolecularWeight: 468.56852

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Descriptors Computed from Structure

Canonical SMILES:

CC(NS(=O)(=O)C1=CC=CC2=C1C=CN=C2)N3CCCN(CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC(NS(=O)(=O)C1=CC=CC2=C1C=CN=C2)N3CCCN(CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C24H28N4O4S/c1-18(26-33(29,30)24-5-2-4-20-15-25-9-8-21(20)24)28-11-3-10-27(12-13-28)16-19-6-7-22-23(14-19)32-17-31-22/h2,4-9,14-15,18,26H,3,10-13,16-17H2,1H3