2,2-dimethyl-4-[4-(3-nitrophenyl)phenyl]sulfonyl-thiomorpholine-3-carboxylic acid

Systemtic Name: 2,2-dimethyl-4-[4-(3-nitrophenyl)phenyl]sulfonyl-thiomorpholine-3-carboxylic acid Openeye Name: 2,2-dimethyl-4-[4-(3-nitrophenyl)phenyl]sulfonyl-thiomorpholine-3-carboxylic acid CAS Name: 2,2-dimethyl-4-[4-(3-nitrophenyl)phenyl]sulfonyl-3-thiomorpholinecarboxylic acid IUPAC Name: 2,2-dimethyl-4-[4-(3-nitrophenyl)phenyl]sulfonylthiomorpholine-3-carboxylic acid Traditional Name: 2,2-dimethyl-4-[4-(3-nitrophenyl)phenyl]sulfonyl-thiomorpholine-3-carboxylic acid Formula: C19H20N2O6S2 MolecularWeight: 436.5019

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N2O6S2/c1-19(2)17(18(22)23)20(10-11-28-19)29(26,27)16-8-6-13(7-9-16)14-4-3-5-15(12-14)21(24)25/h3-9,12,17H,10-11H2,1-2H3,(H,22,23)