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

Systemtic Name: 4-chloranyl-N-[(1S,2R)-2-morpholin-4-ium-4-yl-1,2-dihydroacenaphthylen-1-yl]benzenesulfonamide Openeye Name: 4-chloro-N-[(1S,2R)-2-morpholin-4-ium-4-yl-1,2-dihydroacenaphthylen-1-yl]benzenesulfonamide CAS Name: 4-chloro-N-[(1S,2R)-2-(4-morpholin-4-iumyl)-1,2-dihydroacenaphthylen-1-yl]benzenesulfonamide IUPAC Name: 4-chloro-N-[(1S,2R)-2-morpholin-4-ium-4-yl-1,2-dihydroacenaphthylen-1-yl]benzenesulfonamide Traditional Name: 4-chloro-N-[(1S,2R)-2-morpholin-4-ium-4-ylacenaphthen-1-yl]benzenesulfonamide Formula: C22H22ClN2O3S+ MolecularWeight: 429.93968

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1C2C(C3=CC=CC4=C3C2=CC=C4)NS(=O)(=O)C5=CC=C(C=C5)Cl

Isomeric SMILES

C1COCC[NH+]1[C@H]2[C@H](C3=CC=CC4=C3C2=CC=C4)NS(=O)(=O)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C22H21ClN2O3S/c23-16-7-9-17(10-8-16)29(26,27)24-21-18-5-1-3-15-4-2-6-19(20(15)18)22(21)25-11-13-28-14-12-25/h1-10,21-22,24H,11-14H2/p+1/t21-,22+/m0/s1