4-[2-[(4-fluorophenyl)sulfonyl-methyl-amino]ethanoylamino]-3-methyl-benzoic acid

Systemtic Name: 4-[2-[(4-fluorophenyl)sulfonyl-methyl-amino]ethanoylamino]-3-methyl-benzoic acid Openeye Name: 4-[[2-[(4-fluorophenyl)sulfonyl-methyl-amino]acetyl]amino]-3-methyl-benzoic acid CAS Name: 4-[[2-[(4-fluorophenyl)sulfonyl-methylamino]-1-oxoethyl]amino]-3-methylbenzoic acid IUPAC Name: 4-[[2-[(4-fluorophenyl)sulfonyl-methylamino]acetyl]amino]-3-methylbenzoic acid Traditional Name: 4-[[2-[(4-fluorophenyl)sulfonyl-methyl-amino]acetyl]amino]-3-methyl-benzoic acid Formula: C17H17FN2O5S MolecularWeight: 380.390683

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)O)NC(=O)CN(C)S(=O)(=O)C2=CC=C(C=C2)F

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)O)NC(=O)CN(C)S(=O)(=O)C2=CC=C(C=C2)F

InChI

InChI=1S/C17H17FN2O5S/c1-11-9-12(17(22)23)3-8-15(11)19-16(21)10-20(2)26(24,25)14-6-4-13(18)5-7-14/h3-9H,10H2,1-2H3,(H,19,21)(H,22,23)