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

Systemtic Name: 5-(3-acetamido-4-chloranyl-phenyl)sulfonyl-6-methyl-1,3-benzodioxole-2-carboxylic acid Openeye Name: 5-(3-acetamido-4-chloro-phenyl)sulfonyl-6-methyl-1,3-benzodioxole-2-carboxylic acid CAS Name: 5-(3-acetamido-4-chlorophenyl)sulfonyl-6-methyl-1,3-benzodioxole-2-carboxylic acid IUPAC Name: 5-(3-acetamido-4-chlorophenyl)sulfonyl-6-methyl-1,3-benzodioxole-2-carboxylic acid Traditional Name: 5-(3-acetamido-4-chloro-phenyl)sulfonyl-6-methyl-1,3-benzodioxole-2-carboxylic acid Formula: C17H14ClNO7S MolecularWeight: 411.81356

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14ClNO7S/c1-8-5-13-14(26-17(25-13)16(21)22)7-15(8)27(23,24)10-3-4-11(18)12(6-10)19-9(2)20/h3-7,17H,1-2H3,(H,19,20)(H,21,22)