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

Systemtic Name: 4-[4-(3-methanoyl-4-methoxy-phenyl)phenyl]sulfonyl-2,2-dimethyl-thiomorpholine-3-carboxylic acid Openeye Name: 4-[4-(3-formyl-4-methoxy-phenyl)phenyl]sulfonyl-2,2-dimethyl-thiomorpholine-3-carboxylic acid CAS Name: 4-[4-(3-formyl-4-methoxyphenyl)phenyl]sulfonyl-2,2-dimethyl-3-thiomorpholinecarboxylic acid IUPAC Name: 4-[4-(3-formyl-4-methoxyphenyl)phenyl]sulfonyl-2,2-dimethylthiomorpholine-3-carboxylic acid Traditional Name: 4-[4-(3-formyl-4-methoxy-phenyl)phenyl]sulfonyl-2,2-dimethyl-thiomorpholine-3-carboxylic acid Formula: C21H23NO6S2 MolecularWeight: 449.54042

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N(CCS1)S(=O)(=O)C2=CC=C(C=C2)C3=CC(=C(C=C3)OC)C=O)C(=O)O)C

Isomeric SMILES

CC1(C(N(CCS1)S(=O)(=O)C2=CC=C(C=C2)C3=CC(=C(C=C3)OC)C=O)C(=O)O)C

InChI

InChI=1S/C21H23NO6S2/c1-21(2)19(20(24)25)22(10-11-29-21)30(26,27)17-7-4-14(5-8-17)15-6-9-18(28-3)16(12-15)13-23/h4-9,12-13,19H,10-11H2,1-3H3,(H,24,25)