4-[2-(1-benzothiophen-5-ylmethylsulfonyl)-1-[methanoyl(oxidanyl)amino]ethyl]benzoic acid

Systemtic Name: 4-[2-(1-benzothiophen-5-ylmethylsulfonyl)-1-[methanoyl(oxidanyl)amino]ethyl]benzoic acid Openeye Name: 4-[2-(benzothiophen-5-ylmethylsulfonyl)-1-[formyl(hydroxy)amino]ethyl]benzoic acid CAS Name: 4-[2-(1-benzothiophen-5-ylmethylsulfonyl)-1-[formyl(hydroxy)amino]ethyl]benzoic acid IUPAC Name: 4-[2-(1-benzothiophen-5-ylmethylsulfonyl)-1-[formyl(hydroxy)amino]ethyl]benzoic acid Traditional Name: 4-[2-(benzothiophen-5-ylmethylsulfonyl)-1-[formyl(hydroxy)amino]ethyl]benzoic acid Formula: C19H17NO6S2 MolecularWeight: 419.47138

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(CS(=O)(=O)CC2=CC3=C(C=C2)SC=C3)N(C=O)O)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1C(CS(=O)(=O)CC2=CC3=C(C=C2)SC=C3)N(C=O)O)C(=O)O

InChI

InChI=1S/C19H17NO6S2/c21-12-20(24)17(14-2-4-15(5-3-14)19(22)23)11-28(25,26)10-13-1-6-18-16(9-13)7-8-27-18/h1-9,12,17,24H,10-11H2,(H,22,23)