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

Systemtic Name: (2,3,6-trimethylphenyl) 2-[(4-chlorophenyl)sulfonyl-methyl-amino]ethanoate Openeye Name: (2,3,6-trimethylphenyl) 2-[(4-chlorophenyl)sulfonyl-methyl-amino]acetate CAS Name: 2-[(4-chlorophenyl)sulfonyl-methylamino]acetic acid (2,3,6-trimethylphenyl) ester IUPAC Name: (2,3,6-trimethylphenyl) 2-[(4-chlorophenyl)sulfonyl-methylamino]acetate Traditional Name: 2-[(4-chlorophenyl)sulfonyl-methyl-amino]acetic acid (2,3,6-trimethylphenyl) ester Formula: C18H20ClNO4S MolecularWeight: 381.8737

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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)Cl)C

Isomeric SMILES

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

InChI

InChI=1S/C18H20ClNO4S/c1-12-5-6-13(2)18(14(12)3)24-17(21)11-20(4)25(22,23)16-9-7-15(19)8-10-16/h5-10H,11H2,1-4H3