(phenylmethyl) 2-[methyl-(4-pentylphenyl)sulfonyl-amino]ethanoate

Systemtic Name: (phenylmethyl) 2-[methyl-(4-pentylphenyl)sulfonyl-amino]ethanoate Openeye Name: benzyl 2-[methyl-(4-pentylphenyl)sulfonyl-amino]acetate CAS Name: 2-[methyl-(4-pentylphenyl)sulfonylamino]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[methyl-(4-pentylphenyl)sulfonylamino]acetate Traditional Name: 2-[(4-amylphenyl)sulfonyl-methyl-amino]acetic acid benzyl ester Formula: C21H27NO4S MolecularWeight: 389.50838

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)S(=O)(=O)N(C)CC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CCCCCC1=CC=C(C=C1)S(=O)(=O)N(C)CC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C21H27NO4S/c1-3-4-6-9-18-12-14-20(15-13-18)27(24,25)22(2)16-21(23)26-17-19-10-7-5-8-11-19/h5,7-8,10-15H,3-4,6,9,16-17H2,1-2H3