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

Systemtic Name: N-[1-[4-(1,3-benzodioxol-5-ylmethyl)-1,4-diazepan-1-yl]ethyl]-8-chloranyl-quinoline-5-sulfonamide Openeye Name: N-[1-[4-(1,3-benzodioxol-5-ylmethyl)-1,4-diazepan-1-yl]ethyl]-8-chloro-quinoline-5-sulfonamide CAS Name: N-[1-[4-(1,3-benzodioxol-5-ylmethyl)-1,4-diazepan-1-yl]ethyl]-8-chloro-5-quinolinesulfonamide IUPAC Name: N-[1-[4-(1,3-benzodioxol-5-ylmethyl)-1,4-diazepan-1-yl]ethyl]-8-chloroquinoline-5-sulfonamide Traditional Name: 8-chloro-N-[1-(4-piperonyl-1,4-diazepan-1-yl)ethyl]quinoline-5-sulfonamide Formula: C24H27ClN4O4S MolecularWeight: 503.01358

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Descriptors Computed from Structure

Canonical SMILES:

CC(NS(=O)(=O)C1=C2C=CC=NC2=C(C=C1)Cl)N3CCCN(CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC(NS(=O)(=O)C1=C2C=CC=NC2=C(C=C1)Cl)N3CCCN(CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C24H27ClN4O4S/c1-17(27-34(30,31)23-8-6-20(25)24-19(23)4-2-9-26-24)29-11-3-10-28(12-13-29)15-18-5-7-21-22(14-18)33-16-32-21/h2,4-9,14,17,27H,3,10-13,15-16H2,1H3