(2,3,6-trimethylphenyl) 2-[(4-acetamidophenyl)sulfonyl-methyl-amino]ethanoate

Systemtic Name: (2,3,6-trimethylphenyl) 2-[(4-acetamidophenyl)sulfonyl-methyl-amino]ethanoate Openeye Name: (2,3,6-trimethylphenyl) 2-[(4-acetamidophenyl)sulfonyl-methyl-amino]acetate CAS Name: 2-[(4-acetamidophenyl)sulfonyl-methylamino]acetic acid (2,3,6-trimethylphenyl) ester IUPAC Name: (2,3,6-trimethylphenyl) 2-[(4-acetamidophenyl)sulfonyl-methylamino]acetate Traditional Name: 2-[(4-acetamidophenyl)sulfonyl-methyl-amino]acetic acid (2,3,6-trimethylphenyl) ester Formula: C20H24N2O5S MolecularWeight: 404.47996

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)C)OC(=O)CN(C)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C)C

Isomeric SMILES

CC1=C(C(=C(C=C1)C)OC(=O)CN(C)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C)C

InChI

InChI=1S/C20H24N2O5S/c1-13-6-7-14(2)20(15(13)3)27-19(24)12-22(5)28(25,26)18-10-8-17(9-11-18)21-16(4)23/h6-11H,12H2,1-5H3,(H,21,23)