2,2-dimethyl-4-(1-oxidanidylpyridin-1-ium-2-yl)-6-(phenylsulfonyl)-3H-1,4-benzoxazine

Systemtic Name: 2,2-dimethyl-4-(1-oxidanidylpyridin-1-ium-2-yl)-6-(phenylsulfonyl)-3H-1,4-benzoxazine Openeye Name: 6-(benzenesulfonyl)-2,2-dimethyl-4-(1-oxidopyridin-1-ium-2-yl)-3H-1,4-benzoxazine CAS Name: 6-(benzenesulfonyl)-2,2-dimethyl-4-(1-oxido-2-pyridin-1-iumyl)-3H-1,4-benzoxazine IUPAC Name: 6-(benzenesulfonyl)-2,2-dimethyl-4-(1-oxidopyridin-1-ium-2-yl)-3H-1,4-benzoxazine Traditional Name: 6-besyl-2,2-dimethyl-4-(1-oxidopyridin-1-ium-2-yl)-3H-1,4-benzoxazine Formula: C21H20N2O4S MolecularWeight: 396.4595

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CN(C2=C(O1)C=CC(=C2)S(=O)(=O)C3=CC=CC=C3)C4=CC=CC=[N+]4[O-])C

Isomeric SMILES

CC1(CN(C2=C(O1)C=CC(=C2)S(=O)(=O)C3=CC=CC=C3)C4=CC=CC=[N+]4[O-])C

InChI

InChI=1S/C21H20N2O4S/c1-21(2)15-22(20-10-6-7-13-23(20)24)18-14-17(11-12-19(18)27-21)28(25,26)16-8-4-3-5-9-16/h3-14H,15H2,1-2H3