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

Systemtic Name: N-[(1R,2R)-2-piperazin-4-ium-1-yl-1,2-dihydroacenaphthylen-1-yl]benzenesulfonamide Openeye Name: N-[(1R,2R)-2-piperazin-4-ium-1-yl-1,2-dihydroacenaphthylen-1-yl]benzenesulfonamide CAS Name: N-[(1R,2R)-2-(1-piperazin-4-iumyl)-1,2-dihydroacenaphthylen-1-yl]benzenesulfonamide IUPAC Name: N-[(1R,2R)-2-piperazin-4-ium-1-yl-1,2-dihydroacenaphthylen-1-yl]benzenesulfonamide Traditional Name: N-[(1R,2R)-2-piperazin-4-ium-1-ylacenaphthen-1-yl]benzenesulfonamide Formula: C22H24N3O2S+ MolecularWeight: 394.50986

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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=CC=C5

Isomeric SMILES

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

InChI

InChI=1S/C22H23N3O2S/c26-28(27,17-8-2-1-3-9-17)24-21-18-10-4-6-16-7-5-11-19(20(16)18)22(21)25-14-12-23-13-15-25/h1-11,21-24H,12-15H2/p+1/t21-,22-/m1/s1