6-chloranyl-N-[[2-(dimethylamino)pyridin-3-yl]methyl]-3-oxidanylidene-4H-1,4-benzoxazine-7-sulfonamide

Systemtic Name: 6-chloranyl-N-[[2-(dimethylamino)pyridin-3-yl]methyl]-3-oxidanylidene-4H-1,4-benzoxazine-7-sulfonamide Openeye Name: 6-chloro-N-[[2-(dimethylamino)-3-pyridyl]methyl]-3-oxo-4H-1,4-benzoxazine-7-sulfonamide CAS Name: 6-chloro-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-3-oxo-4H-1,4-benzoxazine-7-sulfonamide IUPAC Name: 6-chloro-N-[[2-(dimethylamino)pyridin-3-yl]methyl]-3-oxo-4H-1,4-benzoxazine-7-sulfonamide Traditional Name: 6-chloro-N-[[2-(dimethylamino)-3-pyridyl]methyl]-3-keto-4H-1,4-benzoxazine-7-sulfonamide Formula: C16H17ClN4O4S MolecularWeight: 396.84858

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(C=CC=N1)CNS(=O)(=O)C2=C(C=C3C(=C2)OCC(=O)N3)Cl

Isomeric SMILES

CN(C)C1=C(C=CC=N1)CNS(=O)(=O)C2=C(C=C3C(=C2)OCC(=O)N3)Cl

InChI

InChI=1S/C16H17ClN4O4S/c1-21(2)16-10(4-3-5-18-16)8-19-26(23,24)14-7-13-12(6-11(14)17)20-15(22)9-25-13/h3-7,19H,8-9H2,1-2H3,(H,20,22)