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

Systemtic Name: 2-[[4-[(5-fluoranyl-3-methyl-1-benzothiophen-2-yl)sulfonylamino]-3-methylsulfonyl-phenyl]carbonylamino]ethanoic acid Openeye Name: 2-[[4-[(5-fluoro-3-methyl-benzothiophen-2-yl)sulfonylamino]-3-methylsulfonyl-benzoyl]amino]acetic acid CAS Name: 2-[[[4-[(5-fluoro-3-methyl-1-benzothiophen-2-yl)sulfonylamino]-3-methylsulfonylphenyl]-oxomethyl]amino]acetic acid IUPAC Name: 2-[[4-[(5-fluoro-3-methyl-1-benzothiophen-2-yl)sulfonylamino]-3-methylsulfonylbenzoyl]amino]acetic acid Traditional Name: 2-[[4-[(5-fluoro-3-methyl-benzothiophen-2-yl)sulfonylamino]-3-mesyl-benzoyl]amino]acetic acid Formula: C19H17FN2O7S3 MolecularWeight: 500.540883

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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)NCC(=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)NCC(=O)O)S(=O)(=O)C

InChI

InChI=1S/C19H17FN2O7S3/c1-10-13-8-12(20)4-6-15(13)30-19(10)32(28,29)22-14-5-3-11(7-16(14)31(2,26)27)18(25)21-9-17(23)24/h3-8,22H,9H2,1-2H3,(H,21,25)(H,23,24)