4-[(5-chloranyl-3-methyl-1-benzothiophen-2-yl)sulfonylamino]benzene-1,3-dicarboxylic acid

Systemtic Name: 4-[(5-chloranyl-3-methyl-1-benzothiophen-2-yl)sulfonylamino]benzene-1,3-dicarboxylic acid Openeye Name: 4-[(5-chloro-3-methyl-benzothiophen-2-yl)sulfonylamino]benzene-1,3-dicarboxylic acid CAS Name: 4-[(5-chloro-3-methyl-1-benzothiophen-2-yl)sulfonylamino]benzene-1,3-dicarboxylic acid IUPAC Name: 4-[(5-chloro-3-methyl-1-benzothiophen-2-yl)sulfonylamino]benzene-1,3-dicarboxylic acid Traditional Name: 4-[(5-chloro-3-methyl-benzothiophen-2-yl)sulfonylamino]isophthalic acid Formula: C17H12ClNO6S2 MolecularWeight: 425.86328

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C=C(C=C2)Cl)S(=O)(=O)NC3=C(C=C(C=C3)C(=O)O)C(=O)O

Isomeric SMILES

CC1=C(SC2=C1C=C(C=C2)Cl)S(=O)(=O)NC3=C(C=C(C=C3)C(=O)O)C(=O)O

InChI

InChI=1S/C17H12ClNO6S2/c1-8-11-7-10(18)3-5-14(11)26-17(8)27(24,25)19-13-4-2-9(15(20)21)6-12(13)16(22)23/h2-7,19H,1H3,(H,20,21)(H,22,23)