(phenylmethyl) 2-[methyl-[4-(2-methylbutan-2-yl)phenyl]sulfonyl-amino]ethanoate

Systemtic Name: (phenylmethyl) 2-[methyl-[4-(2-methylbutan-2-yl)phenyl]sulfonyl-amino]ethanoate Openeye Name: benzyl 2-[[4-(1,1-dimethylpropyl)phenyl]sulfonyl-methyl-amino]acetate CAS Name: 2-[methyl-[4-(2-methylbutan-2-yl)phenyl]sulfonylamino]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[methyl-[4-(2-methylbutan-2-yl)phenyl]sulfonylamino]acetate Traditional Name: 2-[(4-tert-amylphenyl)sulfonyl-methyl-amino]acetic acid benzyl ester Formula: C21H27NO4S MolecularWeight: 389.50838

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N(C)CC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CCC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N(C)CC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C21H27NO4S/c1-5-21(2,3)18-11-13-19(14-12-18)27(24,25)22(4)15-20(23)26-16-17-9-7-6-8-10-17/h6-14H,5,15-16H2,1-4H3