N-(3-chloranyl-4-pyridin-2-ylsulfanyl-phenyl)-7-methyl-3-oxidanylidene-4H-1,4-benzoxazine-6-sulfonamide

Systemtic Name: N-(3-chloranyl-4-pyridin-2-ylsulfanyl-phenyl)-7-methyl-3-oxidanylidene-4H-1,4-benzoxazine-6-sulfonamide Openeye Name: N-[3-chloro-4-(2-pyridylsulfanyl)phenyl]-7-methyl-3-oxo-4H-1,4-benzoxazine-6-sulfonamide CAS Name: N-[3-chloro-4-(2-pyridinylthio)phenyl]-7-methyl-3-oxo-4H-1,4-benzoxazine-6-sulfonamide IUPAC Name: N-(3-chloro-4-pyridin-2-ylsulfanylphenyl)-7-methyl-3-oxo-4H-1,4-benzoxazine-6-sulfonamide Traditional Name: N-[3-chloro-4-(2-pyridylthio)phenyl]-3-keto-7-methyl-4H-1,4-benzoxazine-6-sulfonamide Formula: C20H16ClN3O4S2 MolecularWeight: 461.94174

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1S(=O)(=O)NC3=CC(=C(C=C3)SC4=CC=CC=N4)Cl)NC(=O)CO2

Isomeric SMILES

CC1=CC2=C(C=C1S(=O)(=O)NC3=CC(=C(C=C3)SC4=CC=CC=N4)Cl)NC(=O)CO2

InChI

InChI=1S/C20H16ClN3O4S2/c1-12-8-16-15(23-19(25)11-28-16)10-18(12)30(26,27)24-13-5-6-17(14(21)9-13)29-20-4-2-3-7-22-20/h2-10,24H,11H2,1H3,(H,23,25)