(4-chloranyl-5-methyl-2-propan-2-yl-phenyl) 2-[(4-cyanophenyl)sulfonyl-methyl-amino]ethanoate

Systemtic Name: (4-chloranyl-5-methyl-2-propan-2-yl-phenyl) 2-[(4-cyanophenyl)sulfonyl-methyl-amino]ethanoate Openeye Name: (4-chloro-2-isopropyl-5-methyl-phenyl) 2-[(4-cyanophenyl)sulfonyl-methyl-amino]acetate CAS Name: 2-[(4-cyanophenyl)sulfonyl-methylamino]acetic acid (4-chloro-5-methyl-2-propan-2-ylphenyl) ester IUPAC Name: (4-chloro-5-methyl-2-propan-2-ylphenyl) 2-[(4-cyanophenyl)sulfonyl-methylamino]acetate Traditional Name: 2-[(4-cyanophenyl)sulfonyl-methyl-amino]acetic acid (4-chloro-2-isopropyl-5-methyl-phenyl) ester Formula: C20H21ClN2O4S MolecularWeight: 420.90974

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)C(C)C)OC(=O)CN(C)S(=O)(=O)C2=CC=C(C=C2)C#N

Isomeric SMILES

CC1=CC(=C(C=C1Cl)C(C)C)OC(=O)CN(C)S(=O)(=O)C2=CC=C(C=C2)C#N

InChI

InChI=1S/C20H21ClN2O4S/c1-13(2)17-10-18(21)14(3)9-19(17)27-20(24)12-23(4)28(25,26)16-7-5-15(11-22)6-8-16/h5-10,13H,12H2,1-4H3