(2,6-dimethylphenyl) 2-[(4-cyanophenyl)sulfonyl-methyl-amino]ethanoate

Systemtic Name: (2,6-dimethylphenyl) 2-[(4-cyanophenyl)sulfonyl-methyl-amino]ethanoate Openeye Name: (2,6-dimethylphenyl) 2-[(4-cyanophenyl)sulfonyl-methyl-amino]acetate CAS Name: 2-[(4-cyanophenyl)sulfonyl-methylamino]acetic acid (2,6-dimethylphenyl) ester IUPAC Name: (2,6-dimethylphenyl) 2-[(4-cyanophenyl)sulfonyl-methylamino]acetate Traditional Name: 2-[(4-cyanophenyl)sulfonyl-methyl-amino]acetic acid (2,6-dimethylphenyl) ester Formula: C18H18N2O4S MolecularWeight: 358.41152

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N2O4S/c1-13-5-4-6-14(2)18(13)24-17(21)12-20(3)25(22,23)16-9-7-15(11-19)8-10-16/h4-10H,12H2,1-3H3