3-[[5-[(4-fluorophenyl)sulfonyl-methyl-amino]-2,4-dimethyl-phenyl]sulfonylamino]propanoic acid

Systemtic Name: 3-[[5-[(4-fluorophenyl)sulfonyl-methyl-amino]-2,4-dimethyl-phenyl]sulfonylamino]propanoic acid Openeye Name: 3-[[5-[(4-fluorophenyl)sulfonyl-methyl-amino]-2,4-dimethyl-phenyl]sulfonylamino]propanoic acid CAS Name: 3-[[5-[(4-fluorophenyl)sulfonyl-methylamino]-2,4-dimethylphenyl]sulfonylamino]propanoic acid IUPAC Name: 3-[[5-[(4-fluorophenyl)sulfonyl-methylamino]-2,4-dimethylphenyl]sulfonylamino]propanoic acid Traditional Name: 3-[[5-[(4-fluorophenyl)sulfonyl-methyl-amino]-2,4-dimethyl-phenyl]sulfonylamino]propionic acid Formula: C18H21FN2O6S2 MolecularWeight: 444.497543

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1N(C)S(=O)(=O)C2=CC=C(C=C2)F)S(=O)(=O)NCCC(=O)O)C

Isomeric SMILES

CC1=CC(=C(C=C1N(C)S(=O)(=O)C2=CC=C(C=C2)F)S(=O)(=O)NCCC(=O)O)C

InChI

InChI=1S/C18H21FN2O6S2/c1-12-10-13(2)17(28(24,25)20-9-8-18(22)23)11-16(12)21(3)29(26,27)15-6-4-14(19)5-7-15/h4-7,10-11,20H,8-9H2,1-3H3,(H,22,23)