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

Systemtic Name: 2-[(phenylmethyl)-(2,4,6-trimethylphenyl)sulfonyl-amino]ethanoic acid Openeye Name: 2-[benzyl-(2,4,6-trimethylphenyl)sulfonyl-amino]acetic acid CAS Name: 2-[(phenylmethyl)-(2,4,6-trimethylphenyl)sulfonylamino]acetic acid IUPAC Name: 2-[benzyl-(2,4,6-trimethylphenyl)sulfonylamino]acetic acid Traditional Name: 2-[benzyl(mesitylsulfonyl)amino]acetic acid Formula: C18H21NO4S MolecularWeight: 347.42864

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)N(CC2=CC=CC=C2)CC(=O)O)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)N(CC2=CC=CC=C2)CC(=O)O)C

InChI

InChI=1S/C18H21NO4S/c1-13-9-14(2)18(15(3)10-13)24(22,23)19(12-17(20)21)11-16-7-5-4-6-8-16/h4-10H,11-12H2,1-3H3,(H,20,21)