3-oxidanylidene-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]-4H-1,4-benzoxazine-6-sulfonamide

Systemtic Name: 3-oxidanylidene-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]-4H-1,4-benzoxazine-6-sulfonamide Openeye Name: 3-oxo-N-[4-(3-pyridylmethylsulfanyl)phenyl]-4H-1,4-benzoxazine-6-sulfonamide CAS Name: 3-oxo-N-[4-(3-pyridinylmethylthio)phenyl]-4H-1,4-benzoxazine-6-sulfonamide IUPAC Name: 3-oxo-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]-4H-1,4-benzoxazine-6-sulfonamide Traditional Name: 3-keto-N-[4-(3-pyridylmethylthio)phenyl]-4H-1,4-benzoxazine-6-sulfonamide Formula: C20H17N3O4S2 MolecularWeight: 427.49668

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)NC2=C(O1)C=CC(=C2)S(=O)(=O)NC3=CC=C(C=C3)SCC4=CN=CC=C4

Isomeric SMILES

C1C(=O)NC2=C(O1)C=CC(=C2)S(=O)(=O)NC3=CC=C(C=C3)SCC4=CN=CC=C4

InChI

InChI=1S/C20H17N3O4S2/c24-20-12-27-19-8-7-17(10-18(19)22-20)29(25,26)23-15-3-5-16(6-4-15)28-13-14-2-1-9-21-11-14/h1-11,23H,12-13H2,(H,22,24)