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

Systemtic Name: N-[1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]ethyl]-8-chloranyl-quinoline-5-sulfonamide Openeye Name: N-[1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]ethyl]-8-chloro-quinoline-5-sulfonamide CAS Name: N-[1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]ethyl]-8-chloro-5-quinolinesulfonamide IUPAC Name: N-[1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]ethyl]-8-chloroquinoline-5-sulfonamide Traditional Name: 8-chloro-N-[1-(4-piperonylpiperazino)ethyl]quinoline-5-sulfonamide Formula: C23H25ClN4O4S MolecularWeight: 488.987

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Descriptors Computed from Structure

Canonical SMILES:

CC(NS(=O)(=O)C1=C2C=CC=NC2=C(C=C1)Cl)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC(NS(=O)(=O)C1=C2C=CC=NC2=C(C=C1)Cl)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C23H25ClN4O4S/c1-16(26-33(29,30)22-7-5-19(24)23-18(22)3-2-8-25-23)28-11-9-27(10-12-28)14-17-4-6-20-21(13-17)32-15-31-20/h2-8,13,16,26H,9-12,14-15H2,1H3