N-methyl-N-(4-thianthren-5-ium-5-ylphenyl)benzenesulfonamide perchlorate

Systemtic Name: N-methyl-N-(4-thianthren-5-ium-5-ylphenyl)benzenesulfonamide perchlorate Openeye Name: N-methyl-N-(4-thianthren-5-ium-5-ylphenyl)benzenesulfonamide perchlorate CAS Name: N-methyl-N-[4-(5-thianthren-5-iumyl)phenyl]benzenesulfonamide perchlorate IUPAC Name: N-methyl-N-(4-thianthren-5-ium-5-ylphenyl)benzenesulfonamide perchlorate Traditional Name: N-methyl-N-(4-thianthren-5-ium-5-ylphenyl)benzenesulfonamide perchlorate Formula: C25H20ClNO6S3 MolecularWeight: 562.0774

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=C(C=C1)[S+]2C3=CC=CC=C3SC4=CC=CC=C42)S(=O)(=O)C5=CC=CC=C5.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CN(C1=CC=C(C=C1)[S+]2C3=CC=CC=C3SC4=CC=CC=C42)S(=O)(=O)C5=CC=CC=C5.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C25H20NO2S3.ClHO4/c1-26(31(27,28)21-9-3-2-4-10-21)19-15-17-20(18-16-19)30-24-13-7-5-11-22(24)29-23-12-6-8-14-25(23)30;2-1(3,4)5/h2-18H,1H3;(H,2,3,4,5)/q+1;/p-1