9-chloranyl-3-(4-methylphenyl)sulfonyl-2-oxidanyl-1H-[1]benzothiolo[3,2-b]pyridin-4-one

Systemtic Name: 9-chloranyl-3-(4-methylphenyl)sulfonyl-2-oxidanyl-1H-[1]benzothiolo[3,2-b]pyridin-4-one Openeye Name: 9-chloro-2-hydroxy-3-(p-tolylsulfonyl)-1H-benzothiopheno[3,2-b]pyridin-4-one CAS Name: 9-chloro-2-hydroxy-3-(4-methylphenyl)sulfonyl-1H-[1]benzothiolo[3,2-b]pyridin-4-one IUPAC Name: 9-chloro-2-hydroxy-3-(4-methylphenyl)sulfonyl-1H-[1]benzothiolo[3,2-b]pyridin-4-one Traditional Name: 9-chloro-2-hydroxy-3-tosyl-1H-benzothiopheno[3,2-b]pyridin-4-one Formula: C18H12ClNO4S2 MolecularWeight: 405.87518

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2=C(NC3=C(C2=O)SC4=C3C(=CC=C4)Cl)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=C(NC3=C(C2=O)SC4=C3C(=CC=C4)Cl)O

InChI

InChI=1S/C18H12ClNO4S2/c1-9-5-7-10(8-6-9)26(23,24)17-15(21)16-14(20-18(17)22)13-11(19)3-2-4-12(13)25-16/h2-8H,1H3,(H2,20,21,22)