methyl 3-[4-[(4-fluorophenyl)sulfonylamino]butanoylamino]-4-methyl-benzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CCCNS(=O)(=O)C2=CC=C(C=C2)F

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CCCNS(=O)(=O)C2=CC=C(C=C2)F

InChI

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