(4-tert-butyl-2-methyl-phenyl) 2-[(4-cyanophenyl)sulfonyl-methyl-amino]ethanoate

Systemtic Name: (4-tert-butyl-2-methyl-phenyl) 2-[(4-cyanophenyl)sulfonyl-methyl-amino]ethanoate Openeye Name: (4-tert-butyl-2-methyl-phenyl) 2-[(4-cyanophenyl)sulfonyl-methyl-amino]acetate CAS Name: 2-[(4-cyanophenyl)sulfonyl-methylamino]acetic acid (4-tert-butyl-2-methylphenyl) ester IUPAC Name: (4-tert-butyl-2-methylphenyl) 2-[(4-cyanophenyl)sulfonyl-methylamino]acetate Traditional Name: 2-[(4-cyanophenyl)sulfonyl-methyl-amino]acetic acid (4-tert-butyl-2-methyl-phenyl) ester Formula: C21H24N2O4S MolecularWeight: 400.49126

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O4S/c1-15-12-17(21(2,3)4)8-11-19(15)27-20(24)14-23(5)28(25,26)18-9-6-16(13-22)7-10-18/h6-12H,14H2,1-5H3