N-[2-methyl-3-(1,2,3,4-tetrazol-1-yl)phenyl]-3-oxidanylidene-4H-1,4-benzoxazine-6-sulfonamide

Systemtic Name: N-[2-methyl-3-(1,2,3,4-tetrazol-1-yl)phenyl]-3-oxidanylidene-4H-1,4-benzoxazine-6-sulfonamide Openeye Name: N-[2-methyl-3-(tetrazol-1-yl)phenyl]-3-oxo-4H-1,4-benzoxazine-6-sulfonamide CAS Name: N-[2-methyl-3-(1-tetrazolyl)phenyl]-3-oxo-4H-1,4-benzoxazine-6-sulfonamide IUPAC Name: N-[2-methyl-3-(tetrazol-1-yl)phenyl]-3-oxo-4H-1,4-benzoxazine-6-sulfonamide Traditional Name: 3-keto-N-[2-methyl-3-(tetrazol-1-yl)phenyl]-4H-1,4-benzoxazine-6-sulfonamide Formula: C16H14N6O4S MolecularWeight: 386.38516

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1NS(=O)(=O)C2=CC3=C(C=C2)OCC(=O)N3)N4C=NN=N4

Isomeric SMILES

CC1=C(C=CC=C1NS(=O)(=O)C2=CC3=C(C=C2)OCC(=O)N3)N4C=NN=N4

InChI

InChI=1S/C16H14N6O4S/c1-10-12(3-2-4-14(10)22-9-17-20-21-22)19-27(24,25)11-5-6-15-13(7-11)18-16(23)8-26-15/h2-7,9,19H,8H2,1H3,(H,18,23)