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

Systemtic Name: 4-[4-[(4-fluorophenyl)sulfonyl-methyl-amino]butanoylamino]-3-methyl-benzoic acid Openeye Name: 4-[4-[(4-fluorophenyl)sulfonyl-methyl-amino]butanoylamino]-3-methyl-benzoic acid CAS Name: 4-[[4-[(4-fluorophenyl)sulfonyl-methylamino]-1-oxobutyl]amino]-3-methylbenzoic acid IUPAC Name: 4-[4-[(4-fluorophenyl)sulfonyl-methylamino]butanoylamino]-3-methylbenzoic acid Traditional Name: 4-[4-[(4-fluorophenyl)sulfonyl-methyl-amino]butanoylamino]-3-methyl-benzoic acid Formula: C19H21FN2O5S MolecularWeight: 408.443843

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21FN2O5S/c1-13-12-14(19(24)25)5-10-17(13)21-18(23)4-3-11-22(2)28(26,27)16-8-6-15(20)7-9-16/h5-10,12H,3-4,11H2,1-2H3,(H,21,23)(H,24,25)