4-chloranyl-N-(2-pyrimidin-2-ylsulfanyl-1,2-dihydroacenaphthylen-1-yl)benzenesulfonamide

Systemtic Name: 4-chloranyl-N-(2-pyrimidin-2-ylsulfanyl-1,2-dihydroacenaphthylen-1-yl)benzenesulfonamide Openeye Name: 4-chloro-N-(2-pyrimidin-2-ylsulfanyl-1,2-dihydroacenaphthylen-1-yl)benzenesulfonamide CAS Name: 4-chloro-N-[2-(2-pyrimidinylthio)-1,2-dihydroacenaphthylen-1-yl]benzenesulfonamide IUPAC Name: 4-chloro-N-(2-pyrimidin-2-ylsulfanyl-1,2-dihydroacenaphthylen-1-yl)benzenesulfonamide Traditional Name: 4-chloro-N-[2-(2-pyrimidylthio)acenaphthen-1-yl]benzenesulfonamide Formula: C22H16ClN3O2S2 MolecularWeight: 453.96434

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C3C(=C1)C(C(C3=CC=C2)SC4=NC=CC=N4)NS(=O)(=O)C5=CC=C(C=C5)Cl

Isomeric SMILES

C1=CC2=C3C(=C1)C(C(C3=CC=C2)SC4=NC=CC=N4)NS(=O)(=O)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C22H16ClN3O2S2/c23-15-8-10-16(11-9-15)30(27,28)26-20-17-6-1-4-14-5-2-7-18(19(14)17)21(20)29-22-24-12-3-13-25-22/h1-13,20-21,26H