N-[1-chloranyl-1-[4-(3-phenoxypropyl)piperazin-1-yl]ethyl]isoquinoline-5-sulfonamide

Systemtic Name: N-[1-chloranyl-1-[4-(3-phenoxypropyl)piperazin-1-yl]ethyl]isoquinoline-5-sulfonamide Openeye Name: N-[1-chloro-1-[4-(3-phenoxypropyl)piperazin-1-yl]ethyl]isoquinoline-5-sulfonamide CAS Name: N-[1-chloro-1-[4-(3-phenoxypropyl)-1-piperazinyl]ethyl]-5-isoquinolinesulfonamide IUPAC Name: N-[1-chloro-1-[4-(3-phenoxypropyl)piperazin-1-yl]ethyl]isoquinoline-5-sulfonamide Traditional Name: N-[1-chloro-1-[4-(3-phenoxypropyl)piperazino]ethyl]isoquinoline-5-sulfonamide Formula: C24H29ClN4O3S MolecularWeight: 489.03006

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Descriptors Computed from Structure

Canonical SMILES:

CC(NS(=O)(=O)C1=CC=CC2=C1C=CN=C2)(N3CCN(CC3)CCCOC4=CC=CC=C4)Cl

Isomeric SMILES

CC(NS(=O)(=O)C1=CC=CC2=C1C=CN=C2)(N3CCN(CC3)CCCOC4=CC=CC=C4)Cl

InChI

InChI=1S/C24H29ClN4O3S/c1-24(25,27-33(30,31)23-10-5-7-20-19-26-12-11-22(20)23)29-16-14-28(15-17-29)13-6-18-32-21-8-3-2-4-9-21/h2-5,7-12,19,27H,6,13-18H2,1H3