2-(3,5-dimethylphenoxy)ethyl 2-[(4-acetamidophenyl)sulfonyl-methyl-amino]ethanoate

Systemtic Name: 2-(3,5-dimethylphenoxy)ethyl 2-[(4-acetamidophenyl)sulfonyl-methyl-amino]ethanoate Openeye Name: 2-(3,5-dimethylphenoxy)ethyl 2-[(4-acetamidophenyl)sulfonyl-methyl-amino]acetate CAS Name: 2-[(4-acetamidophenyl)sulfonyl-methylamino]acetic acid 2-(3,5-dimethylphenoxy)ethyl ester IUPAC Name: 2-(3,5-dimethylphenoxy)ethyl 2-[(4-acetamidophenyl)sulfonyl-methylamino]acetate Traditional Name: 2-[(4-acetamidophenyl)sulfonyl-methyl-amino]acetic acid 2-(3,5-dimethylphenoxy)ethyl ester Formula: C21H26N2O6S MolecularWeight: 434.50594

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OCCOC(=O)CN(C)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)OCCOC(=O)CN(C)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C)C

InChI

InChI=1S/C21H26N2O6S/c1-15-11-16(2)13-19(12-15)28-9-10-29-21(25)14-23(4)30(26,27)20-7-5-18(6-8-20)22-17(3)24/h5-8,11-13H,9-10,14H2,1-4H3,(H,22,24)