5-[[4-[(4-fluorophenyl)sulfonyl-methyl-amino]butanoylamino]methyl]-2-methoxy-benzoic acid

Systemtic Name: 5-[[4-[(4-fluorophenyl)sulfonyl-methyl-amino]butanoylamino]methyl]-2-methoxy-benzoic acid Openeye Name: 5-[[4-[(4-fluorophenyl)sulfonyl-methyl-amino]butanoylamino]methyl]-2-methoxy-benzoic acid CAS Name: 5-[[[4-[(4-fluorophenyl)sulfonyl-methylamino]-1-oxobutyl]amino]methyl]-2-methoxybenzoic acid IUPAC Name: 5-[[4-[(4-fluorophenyl)sulfonyl-methylamino]butanoylamino]methyl]-2-methoxybenzoic acid Traditional Name: 5-[[4-[(4-fluorophenyl)sulfonyl-methyl-amino]butanoylamino]methyl]-2-methoxy-benzoic acid Formula: C20H23FN2O6S MolecularWeight: 438.469823

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCC(=O)NCC1=CC(=C(C=C1)OC)C(=O)O)S(=O)(=O)C2=CC=C(C=C2)F

Isomeric SMILES

CN(CCCC(=O)NCC1=CC(=C(C=C1)OC)C(=O)O)S(=O)(=O)C2=CC=C(C=C2)F

InChI

InChI=1S/C20H23FN2O6S/c1-23(30(27,28)16-8-6-15(21)7-9-16)11-3-4-19(24)22-13-14-5-10-18(29-2)17(12-14)20(25)26/h5-10,12H,3-4,11,13H2,1-2H3,(H,22,24)(H,25,26)