3-[[[3,5-bis(chloranyl)-1-benzothiophen-2-yl]carbonylamino]sulfamoyl]-4-methyl-benzoic acid

Systemtic Name: 3-[[[3,5-bis(chloranyl)-1-benzothiophen-2-yl]carbonylamino]sulfamoyl]-4-methyl-benzoic acid Openeye Name: 3-[[(3,5-dichlorobenzothiophene-2-carbonyl)amino]sulfamoyl]-4-methyl-benzoic acid CAS Name: 3-[[[(3,5-dichloro-1-benzothiophen-2-yl)-oxomethyl]amino]sulfamoyl]-4-methylbenzoic acid IUPAC Name: 3-[[(3,5-dichloro-1-benzothiophene-2-carbonyl)amino]sulfamoyl]-4-methylbenzoic acid Traditional Name: 3-[[(3,5-dichlorobenzothiophene-2-carbonyl)amino]sulfamoyl]-4-methyl-benzoic acid Formula: C17H12Cl2N2O5S2 MolecularWeight: 459.32358

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)NNC(=O)C2=C(C3=C(S2)C=CC(=C3)Cl)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)NNC(=O)C2=C(C3=C(S2)C=CC(=C3)Cl)Cl

InChI

InChI=1S/C17H12Cl2N2O5S2/c1-8-2-3-9(17(23)24)6-13(8)28(25,26)21-20-16(22)15-14(19)11-7-10(18)4-5-12(11)27-15/h2-7,21H,1H3,(H,20,22)(H,23,24)