2-[(4-methoxy-3-methyl-phenyl)sulfonyl-phenethyl-amino]ethanoic acid

Systemtic Name: 2-[(4-methoxy-3-methyl-phenyl)sulfonyl-phenethyl-amino]ethanoic acid Openeye Name: 2-[(4-methoxy-3-methyl-phenyl)sulfonyl-phenethyl-amino]acetic acid CAS Name: 2-[(4-methoxy-3-methylphenyl)sulfonyl-phenethylamino]acetic acid IUPAC Name: 2-[(4-methoxy-3-methylphenyl)sulfonyl-phenethylamino]acetic acid Traditional Name: 2-[(4-methoxy-3-methyl-phenyl)sulfonyl-phenethyl-amino]acetic acid Formula: C18H21NO5S MolecularWeight: 363.42804

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)N(CCC2=CC=CC=C2)CC(=O)O)OC

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)N(CCC2=CC=CC=C2)CC(=O)O)OC

InChI

InChI=1S/C18H21NO5S/c1-14-12-16(8-9-17(14)24-2)25(22,23)19(13-18(20)21)11-10-15-6-4-3-5-7-15/h3-9,12H,10-11,13H2,1-2H3,(H,20,21)