2-[phenethyl-(2,4,6-trimethylphenyl)sulfonyl-amino]ethanoic acid

Systemtic Name: 2-[phenethyl-(2,4,6-trimethylphenyl)sulfonyl-amino]ethanoic acid Openeye Name: 2-[phenethyl-(2,4,6-trimethylphenyl)sulfonyl-amino]acetic acid CAS Name: 2-[phenethyl-(2,4,6-trimethylphenyl)sulfonylamino]acetic acid IUPAC Name: 2-[phenethyl-(2,4,6-trimethylphenyl)sulfonylamino]acetic acid Traditional Name: 2-[mesitylsulfonyl(phenethyl)amino]acetic acid Formula: C19H23NO4S MolecularWeight: 361.45522

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23NO4S/c1-14-11-15(2)19(16(3)12-14)25(23,24)20(13-18(21)22)10-9-17-7-5-4-6-8-17/h4-8,11-12H,9-10,13H2,1-3H3,(H,21,22)