3-[4-[(4-methyl-3-sulfamoyl-phenyl)sulfamoyl]phenyl]propanoic acid

Systemtic Name: 3-[4-[(4-methyl-3-sulfamoyl-phenyl)sulfamoyl]phenyl]propanoic acid Openeye Name: 3-[4-[(4-methyl-3-sulfamoyl-phenyl)sulfamoyl]phenyl]propanoic acid CAS Name: 3-[4-[(4-methyl-3-sulfamoylphenyl)sulfamoyl]phenyl]propanoic acid IUPAC Name: 3-[4-[(4-methyl-3-sulfamoylphenyl)sulfamoyl]phenyl]propanoic acid Traditional Name: 3-[4-[(4-methyl-3-sulfamoyl-phenyl)sulfamoyl]phenyl]propionic acid Formula: C16H18N2O6S2 MolecularWeight: 398.45392

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)CCC(=O)O)S(=O)(=O)N

Isomeric SMILES

CC1=C(C=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)CCC(=O)O)S(=O)(=O)N

InChI

InChI=1S/C16H18N2O6S2/c1-11-2-6-13(10-15(11)25(17,21)22)18-26(23,24)14-7-3-12(4-8-14)5-9-16(19)20/h2-4,6-8,10,18H,5,9H2,1H3,(H,19,20)(H2,17,21,22)