(3-methylphenyl)methyl 2-[4-[(4-acetamidophenyl)sulfonyl-methyl-amino]phenoxy]ethanoate

Systemtic Name: (3-methylphenyl)methyl 2-[4-[(4-acetamidophenyl)sulfonyl-methyl-amino]phenoxy]ethanoate Openeye Name: m-tolylmethyl 2-[4-[(4-acetamidophenyl)sulfonyl-methyl-amino]phenoxy]acetate CAS Name: 2-[4-[(4-acetamidophenyl)sulfonyl-methylamino]phenoxy]acetic acid (3-methylphenyl)methyl ester IUPAC Name: (3-methylphenyl)methyl 2-[4-[(4-acetamidophenyl)sulfonyl-methylamino]phenoxy]acetate Traditional Name: 2-[4-[(4-acetamidophenyl)sulfonyl-methyl-amino]phenoxy]acetic acid (3-methylbenzyl) ester Formula: C25H26N2O6S MolecularWeight: 482.54874

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)COC(=O)COC2=CC=C(C=C2)N(C)S(=O)(=O)C3=CC=C(C=C3)NC(=O)C

Isomeric SMILES

CC1=CC(=CC=C1)COC(=O)COC2=CC=C(C=C2)N(C)S(=O)(=O)C3=CC=C(C=C3)NC(=O)C

InChI

InChI=1S/C25H26N2O6S/c1-18-5-4-6-20(15-18)16-33-25(29)17-32-23-11-9-22(10-12-23)27(3)34(30,31)24-13-7-21(8-14-24)26-19(2)28/h4-15H,16-17H2,1-3H3,(H,26,28)