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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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