(phenylmethyl) 2-[(4-methoxy-2,3,6-trimethyl-phenyl)sulfonyl-methyl-amino]ethanoate

Systemtic Name: (phenylmethyl) 2-[(4-methoxy-2,3,6-trimethyl-phenyl)sulfonyl-methyl-amino]ethanoate Openeye Name: benzyl 2-[(4-methoxy-2,3,6-trimethyl-phenyl)sulfonyl-methyl-amino]acetate CAS Name: 2-[(4-methoxy-2,3,6-trimethylphenyl)sulfonyl-methylamino]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[(4-methoxy-2,3,6-trimethylphenyl)sulfonyl-methylamino]acetate Traditional Name: 2-[(4-methoxy-2,3,6-trimethyl-phenyl)sulfonyl-methyl-amino]acetic acid benzyl ester Formula: C20H25NO5S MolecularWeight: 391.4812

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1S(=O)(=O)N(C)CC(=O)OCC2=CC=CC=C2)C)C)OC

Isomeric SMILES

CC1=CC(=C(C(=C1S(=O)(=O)N(C)CC(=O)OCC2=CC=CC=C2)C)C)OC

InChI

InChI=1S/C20H25NO5S/c1-14-11-18(25-5)15(2)16(3)20(14)27(23,24)21(4)12-19(22)26-13-17-9-7-6-8-10-17/h6-11H,12-13H2,1-5H3