5-(3-acetamido-4-methoxy-phenyl)sulfonyl-6-methyl-1,3-benzodioxole-2-carboxylic acid

Systemtic Name: 5-(3-acetamido-4-methoxy-phenyl)sulfonyl-6-methyl-1,3-benzodioxole-2-carboxylic acid Openeye Name: 5-(3-acetamido-4-methoxy-phenyl)sulfonyl-6-methyl-1,3-benzodioxole-2-carboxylic acid CAS Name: 5-(3-acetamido-4-methoxyphenyl)sulfonyl-6-methyl-1,3-benzodioxole-2-carboxylic acid IUPAC Name: 5-(3-acetamido-4-methoxyphenyl)sulfonyl-6-methyl-1,3-benzodioxole-2-carboxylic acid Traditional Name: 5-(3-acetamido-4-methoxy-phenyl)sulfonyl-6-methyl-1,3-benzodioxole-2-carboxylic acid Formula: C18H17NO8S MolecularWeight: 407.39448

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1S(=O)(=O)C3=CC(=C(C=C3)OC)NC(=O)C)OC(O2)C(=O)O

Isomeric SMILES

CC1=CC2=C(C=C1S(=O)(=O)C3=CC(=C(C=C3)OC)NC(=O)C)OC(O2)C(=O)O

InChI

InChI=1S/C18H17NO8S/c1-9-6-14-15(27-18(26-14)17(21)22)8-16(9)28(23,24)11-4-5-13(25-3)12(7-11)19-10(2)20/h4-8,18H,1-3H3,(H,19,20)(H,21,22)