4-[(5-fluoranyl-3-methyl-1-benzothiophen-2-yl)sulfonylamino]-3-methylsulfonyl-benzoic acid

Systemtic Name: 4-[(5-fluoranyl-3-methyl-1-benzothiophen-2-yl)sulfonylamino]-3-methylsulfonyl-benzoic acid Openeye Name: 4-[(5-fluoro-3-methyl-benzothiophen-2-yl)sulfonylamino]-3-methylsulfonyl-benzoic acid CAS Name: 4-[(5-fluoro-3-methyl-1-benzothiophen-2-yl)sulfonylamino]-3-methylsulfonylbenzoic acid IUPAC Name: 4-[(5-fluoro-3-methyl-1-benzothiophen-2-yl)sulfonylamino]-3-methylsulfonylbenzoic acid Traditional Name: 4-[(5-fluoro-3-methyl-benzothiophen-2-yl)sulfonylamino]-3-mesyl-benzoic acid Formula: C17H14FNO6S3 MolecularWeight: 443.489563

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14FNO6S3/c1-9-12-8-11(18)4-6-14(12)26-17(9)28(24,25)19-13-5-3-10(16(20)21)7-15(13)27(2,22)23/h3-8,19H,1-2H3,(H,20,21)