3-[(4-chlorophenyl)methyl-(4-fluoranyl-3-methyl-phenyl)sulfonyl-amino]propanoic acid

Systemtic Name: 3-[(4-chlorophenyl)methyl-(4-fluoranyl-3-methyl-phenyl)sulfonyl-amino]propanoic acid Openeye Name: 3-[(4-chlorophenyl)methyl-(4-fluoro-3-methyl-phenyl)sulfonyl-amino]propanoic acid CAS Name: 3-[(4-chlorophenyl)methyl-(4-fluoro-3-methylphenyl)sulfonylamino]propanoic acid IUPAC Name: 3-[(4-chlorophenyl)methyl-(4-fluoro-3-methylphenyl)sulfonylamino]propanoic acid Traditional Name: 3-[(4-chlorobenzyl)-(4-fluoro-3-methyl-phenyl)sulfonyl-amino]propionic acid Formula: C17H17ClFNO4S MolecularWeight: 385.837583

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)N(CCC(=O)O)CC2=CC=C(C=C2)Cl)F

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)N(CCC(=O)O)CC2=CC=C(C=C2)Cl)F

InChI

InChI=1S/C17H17ClFNO4S/c1-12-10-15(6-7-16(12)19)25(23,24)20(9-8-17(21)22)11-13-2-4-14(18)5-3-13/h2-7,10H,8-9,11H2,1H3,(H,21,22)