N-[(1S,2R)-2-piperazine-1,4-diium-1-yl-1,2-dihydroacenaphthylen-1-yl]benzenesulfonamide

Systemtic Name: N-[(1S,2R)-2-piperazine-1,4-diium-1-yl-1,2-dihydroacenaphthylen-1-yl]benzenesulfonamide Openeye Name: N-[(1S,2R)-2-piperazine-1,4-diium-1-yl-1,2-dihydroacenaphthylen-1-yl]benzenesulfonamide CAS Name: N-[(1S,2R)-2-(1-piperazine-1,4-diiumyl)-1,2-dihydroacenaphthylen-1-yl]benzenesulfonamide IUPAC Name: N-[(1S,2R)-2-piperazine-1,4-diium-1-yl-1,2-dihydroacenaphthylen-1-yl]benzenesulfonamide Traditional Name: N-[(1S,2R)-2-piperazine-1,4-diium-1-ylacenaphthen-1-yl]benzenesulfonamide Formula: C22H25N3O2S+2 MolecularWeight: 395.5178

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH2+]1)C2C(C3=CC=CC4=C3C2=CC=C4)NS(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

C1C[NH+](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+2/t21-,22+/m0/s1