2-(3,5-dimethylphenoxy)ethyl 3-[(4-acetamidophenyl)sulfonylamino]propanoate

Systemtic Name: 2-(3,5-dimethylphenoxy)ethyl 3-[(4-acetamidophenyl)sulfonylamino]propanoate Openeye Name: 2-(3,5-dimethylphenoxy)ethyl 3-[(4-acetamidophenyl)sulfonylamino]propanoate CAS Name: 3-[(4-acetamidophenyl)sulfonylamino]propanoic acid 2-(3,5-dimethylphenoxy)ethyl ester IUPAC Name: 2-(3,5-dimethylphenoxy)ethyl 3-[(4-acetamidophenyl)sulfonylamino]propanoate Traditional Name: 3-[(4-acetamidophenyl)sulfonylamino]propionic 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)CCNS(=O)(=O)C2=CC=C(C=C2)NC(=O)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)OCCOC(=O)CCNS(=O)(=O)C2=CC=C(C=C2)NC(=O)C)C

InChI

InChI=1S/C21H26N2O6S/c1-15-12-16(2)14-19(13-15)28-10-11-29-21(25)8-9-22-30(26,27)20-6-4-18(5-7-20)23-17(3)24/h4-7,12-14,22H,8-11H2,1-3H3,(H,23,24)