3-[4-[(3,5-dimethylphenyl)sulfamoyl]phenyl]propanoate

Systemtic Name: 3-[4-[(3,5-dimethylphenyl)sulfamoyl]phenyl]propanoate Openeye Name: 3-[4-[(3,5-dimethylphenyl)sulfamoyl]phenyl]propanoate CAS Name: 3-[4-[(3,5-dimethylphenyl)sulfamoyl]phenyl]propanoate IUPAC Name: 3-[4-[(3,5-dimethylphenyl)sulfamoyl]phenyl]propanoate Traditional Name: 3-[4-[(3,5-dimethylphenyl)sulfamoyl]phenyl]propionate Formula: C17H18NO4S- MolecularWeight: 332.39412

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NS(=O)(=O)C2=CC=C(C=C2)CCC(=O)[O-])C

Isomeric SMILES

CC1=CC(=CC(=C1)NS(=O)(=O)C2=CC=C(C=C2)CCC(=O)[O-])C

InChI

InChI=1S/C17H19NO4S/c1-12-9-13(2)11-15(10-12)18-23(21,22)16-6-3-14(4-7-16)5-8-17(19)20/h3-4,6-7,9-11,18H,5,8H2,1-2H3,(H,19,20)/p-1