3-[(4-bromophenyl)sulfonyl-(3,5-dimethylphenyl)amino]propanoic acid

Systemtic Name: 3-[(4-bromophenyl)sulfonyl-(3,5-dimethylphenyl)amino]propanoic acid Openeye Name: 3-(N-(4-bromophenyl)sulfonyl-3,5-dimethyl-anilino)propanoic acid CAS Name: 3-(N-(4-bromophenyl)sulfonyl-3,5-dimethylanilino)propanoic acid IUPAC Name: 3-(N-(4-bromophenyl)sulfonyl-3,5-dimethylanilino)propanoic acid Traditional Name: 3-(N-brosyl-3,5-dimethyl-anilino)propionic acid Formula: C17H18BrNO4S MolecularWeight: 412.29812

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18BrNO4S/c1-12-9-13(2)11-15(10-12)19(8-7-17(20)21)24(22,23)16-5-3-14(18)4-6-16/h3-6,9-11H,7-8H2,1-2H3,(H,20,21)