4-[4-(1,3-benzothiazol-2-ylmethoxy)phenyl]sulfonyl-3-methyl-morpholine-3-carboxylic acid

Systemtic Name: 4-[4-(1,3-benzothiazol-2-ylmethoxy)phenyl]sulfonyl-3-methyl-morpholine-3-carboxylic acid Openeye Name: 4-[4-(1,3-benzothiazol-2-ylmethoxy)phenyl]sulfonyl-3-methyl-morpholine-3-carboxylic acid CAS Name: 4-[4-(1,3-benzothiazol-2-ylmethoxy)phenyl]sulfonyl-3-methyl-3-morpholinecarboxylic acid IUPAC Name: 4-[4-(1,3-benzothiazol-2-ylmethoxy)phenyl]sulfonyl-3-methylmorpholine-3-carboxylic acid Traditional Name: 4-[4-(1,3-benzothiazol-2-ylmethoxy)phenyl]sulfonyl-3-methyl-morpholine-3-carboxylic acid Formula: C20H20N2O6S2 MolecularWeight: 448.5126

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Descriptors Computed from Structure

Canonical SMILES:

CC1(COCCN1S(=O)(=O)C2=CC=C(C=C2)OCC3=NC4=CC=CC=C4S3)C(=O)O

Isomeric SMILES

CC1(COCCN1S(=O)(=O)C2=CC=C(C=C2)OCC3=NC4=CC=CC=C4S3)C(=O)O

InChI

InChI=1S/C20H20N2O6S2/c1-20(19(23)24)13-27-11-10-22(20)30(25,26)15-8-6-14(7-9-15)28-12-18-21-16-4-2-3-5-17(16)29-18/h2-9H,10-13H2,1H3,(H,23,24)