2-[3-[[(4-chloranylthiophen-2-yl)methyl-pyridin-3-ylsulfonyl-amino]methyl]phenyl]ethanoic acid

Systemtic Name: 2-[3-[[(4-chloranylthiophen-2-yl)methyl-pyridin-3-ylsulfonyl-amino]methyl]phenyl]ethanoic acid Openeye Name: 2-[3-[[(4-chloro-2-thienyl)methyl-(3-pyridylsulfonyl)amino]methyl]phenyl]acetic acid CAS Name: 2-[3-[[(4-chloro-2-thiophenyl)methyl-(3-pyridinylsulfonyl)amino]methyl]phenyl]acetic acid IUPAC Name: 2-[3-[[(4-chlorothiophen-2-yl)methyl-pyridin-3-ylsulfonylamino]methyl]phenyl]acetic acid Traditional Name: 2-[3-[[(4-chloro-2-thienyl)methyl-(3-pyridylsulfonyl)amino]methyl]phenyl]acetic acid Formula: C19H17ClN2O4S2 MolecularWeight: 436.93228

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CN(CC2=CC(=CS2)Cl)S(=O)(=O)C3=CN=CC=C3)CC(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)CN(CC2=CC(=CS2)Cl)S(=O)(=O)C3=CN=CC=C3)CC(=O)O

InChI

InChI=1S/C19H17ClN2O4S2/c20-16-9-17(27-13-16)12-22(28(25,26)18-5-2-6-21-10-18)11-15-4-1-3-14(7-15)8-19(23)24/h1-7,9-10,13H,8,11-12H2,(H,23,24)