(1R,4S)-4-[[(3S)-3-tert-butyl-7-nitro-1,1-bis(oxidanylidene)-3,4-dihydro-1$l^{6},2-benzothiazin-2-yl]sulfonylmethyl]-7,7-dimethyl-bicyclo[2.2.1]heptan-3-one

Systemtic Name: (1R,4S)-4-[[(3S)-3-tert-butyl-7-nitro-1,1-bis(oxidanylidene)-3,4-dihydro-1$l^{6},2-benzothiazin-2-yl]sulfonylmethyl]-7,7-dimethyl-bicyclo[2.2.1]heptan-3-one Openeye Name: (1S,4R)-1-[[(3S)-3-tert-butyl-7-nitro-1,1-dioxo-3,4-dihydro-1$l^{6},2-benzothiazin-2-yl]sulfonylmethyl]-7,7-dimethyl-norbornan-2-one CAS Name: (1R,4S)-4-[[(3S)-3-tert-butyl-7-nitro-1,1-dioxo-3,4-dihydro-1$l^{6},2-benzothiazin-2-yl]sulfonylmethyl]-7,7-dimethyl-3-bicyclo[2.2.1]heptanone IUPAC Name: (1R,4S)-4-[[(3S)-3-tert-butyl-7-nitro-1,1-dioxo-3,4-dihydro-1$l^{6},2-benzothiazin-2-yl]sulfonylmethyl]-7,7-dimethylbicyclo[2.2.1]heptan-3-one Traditional Name: (1S,4R)-1-[[(3S)-3-tert-butyl-1,1-diketo-7-nitro-3,4-dihydro-1$l^{6},2-benzothiazin-2-yl]sulfonylmethyl]-7,7-dimethyl-norbornan-2-one Formula: C22H30N2O7S2 MolecularWeight: 498.6128

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2CCC1(C(=O)C2)CS(=O)(=O)N3C(CC4=C(S3(=O)=O)C=C(C=C4)[N+](=O)[O-])C(C)(C)C)C

Isomeric SMILES

CC1([C@@H]2CC[C@]1(C(=O)C2)CS(=O)(=O)N3[C@@H](CC4=C(S3(=O)=O)C=C(C=C4)[N+](=O)[O-])C(C)(C)C)C

InChI

InChI=1S/C22H30N2O7S2/c1-20(2,3)18-10-14-6-7-16(23(26)27)12-17(14)33(30,31)24(18)32(28,29)13-22-9-8-15(11-19(22)25)21(22,4)5/h6-7,12,15,18H,8-11,13H2,1-5H3/t15-,18+,22-/m1/s1