tert-butyl (3S)-2,2-dimethyl-4-[4-(1-oxidanidylpyridin-1-ium-4-yl)oxyphenyl]sulfonyl-thiomorpholine-3-carboxylate

Systemtic Name: tert-butyl (3S)-2,2-dimethyl-4-[4-(1-oxidanidylpyridin-1-ium-4-yl)oxyphenyl]sulfonyl-thiomorpholine-3-carboxylate Openeye Name: tert-butyl (3S)-2,2-dimethyl-4-[4-(1-oxidopyridin-1-ium-4-yl)oxyphenyl]sulfonyl-thiomorpholine-3-carboxylate CAS Name: (3S)-2,2-dimethyl-4-[4-[(1-oxido-4-pyridin-1-iumyl)oxy]phenyl]sulfonyl-3-thiomorpholinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (3S)-2,2-dimethyl-4-[4-(1-oxidopyridin-1-ium-4-yl)oxyphenyl]sulfonylthiomorpholine-3-carboxylate Traditional Name: (3S)-2,2-dimethyl-4-[4-(1-oxidopyridin-1-ium-4-yl)oxyphenyl]sulfonyl-thiomorpholine-3-carboxylic acid tert-butyl ester Formula: C22H28N2O6S2 MolecularWeight: 480.59752

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N(CCS1)S(=O)(=O)C2=CC=C(C=C2)OC3=CC=[N+](C=C3)[O-])C(=O)OC(C)(C)C)C

Isomeric SMILES

CC1([C@@H](N(CCS1)S(=O)(=O)C2=CC=C(C=C2)OC3=CC=[N+](C=C3)[O-])C(=O)OC(C)(C)C)C

InChI

InChI=1S/C22H28N2O6S2/c1-21(2,3)30-20(25)19-22(4,5)31-15-14-24(19)32(27,28)18-8-6-16(7-9-18)29-17-10-12-23(26)13-11-17/h6-13,19H,14-15H2,1-5H3/t19-/m0/s1