2-[3-[[(5-ethylthiophen-2-yl)methyl-methylsulfonyl-amino]methyl]phenyl]ethanoic acid

Systemtic Name: 2-[3-[[(5-ethylthiophen-2-yl)methyl-methylsulfonyl-amino]methyl]phenyl]ethanoic acid Openeye Name: 2-[3-[[(5-ethyl-2-thienyl)methyl-methylsulfonyl-amino]methyl]phenyl]acetic acid CAS Name: 2-[3-[[(5-ethyl-2-thiophenyl)methyl-methylsulfonylamino]methyl]phenyl]acetic acid IUPAC Name: 2-[3-[[(5-ethylthiophen-2-yl)methyl-methylsulfonylamino]methyl]phenyl]acetic acid Traditional Name: 2-[3-[[(5-ethyl-2-thienyl)methyl-mesyl-amino]methyl]phenyl]acetic acid Formula: C17H21NO4S2 MolecularWeight: 367.48294

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(S1)CN(CC2=CC=CC(=C2)CC(=O)O)S(=O)(=O)C

Isomeric SMILES

CCC1=CC=C(S1)CN(CC2=CC=CC(=C2)CC(=O)O)S(=O)(=O)C

InChI

InChI=1S/C17H21NO4S2/c1-3-15-7-8-16(23-15)12-18(24(2,21)22)11-14-6-4-5-13(9-14)10-17(19)20/h4-9H,3,10-12H2,1-2H3,(H,19,20)