4-chloranyl-N-[(1R,2R)-2-piperazin-4-ium-1-yl-1,2-dihydroacenaphthylen-1-yl]benzenesulfonamide

Systemtic Name: 4-chloranyl-N-[(1R,2R)-2-piperazin-4-ium-1-yl-1,2-dihydroacenaphthylen-1-yl]benzenesulfonamide Openeye Name: 4-chloro-N-[(1R,2R)-2-piperazin-4-ium-1-yl-1,2-dihydroacenaphthylen-1-yl]benzenesulfonamide CAS Name: 4-chloro-N-[(1R,2R)-2-(1-piperazin-4-iumyl)-1,2-dihydroacenaphthylen-1-yl]benzenesulfonamide IUPAC Name: 4-chloro-N-[(1R,2R)-2-piperazin-4-ium-1-yl-1,2-dihydroacenaphthylen-1-yl]benzenesulfonamide Traditional Name: 4-chloro-N-[(1R,2R)-2-piperazin-4-ium-1-ylacenaphthen-1-yl]benzenesulfonamide Formula: C22H23ClN3O2S+ MolecularWeight: 428.95492

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)C2C(C3=CC=CC4=C3C2=CC=C4)NS(=O)(=O)C5=CC=C(C=C5)Cl

Isomeric SMILES

C1CN(CC[NH2+]1)[C@H]2[C@@H](C3=CC=CC4=C3C2=CC=C4)NS(=O)(=O)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C22H22ClN3O2S/c23-16-7-9-17(10-8-16)29(27,28)25-21-18-5-1-3-15-4-2-6-19(20(15)18)22(21)26-13-11-24-12-14-26/h1-10,21-22,24-25H,11-14H2/p+1/t21-,22-/m1/s1