methyl 4-[2-[4-[(4-fluorophenyl)sulfonyl-methyl-amino]butanoylamino]ethyl]benzoate

Systemtic Name: methyl 4-[2-[4-[(4-fluorophenyl)sulfonyl-methyl-amino]butanoylamino]ethyl]benzoate Openeye Name: methyl 4-[2-[4-[(4-fluorophenyl)sulfonyl-methyl-amino]butanoylamino]ethyl]benzoate CAS Name: 4-[2-[[4-[(4-fluorophenyl)sulfonyl-methylamino]-1-oxobutyl]amino]ethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-[4-[(4-fluorophenyl)sulfonyl-methylamino]butanoylamino]ethyl]benzoate Traditional Name: 4-[2-[4-[(4-fluorophenyl)sulfonyl-methyl-amino]butanoylamino]ethyl]benzoic acid methyl ester Formula: C21H25FN2O5S MolecularWeight: 436.497003

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCC(=O)NCCC1=CC=C(C=C1)C(=O)OC)S(=O)(=O)C2=CC=C(C=C2)F

Isomeric SMILES

CN(CCCC(=O)NCCC1=CC=C(C=C1)C(=O)OC)S(=O)(=O)C2=CC=C(C=C2)F

InChI

InChI=1S/C21H25FN2O5S/c1-24(30(27,28)19-11-9-18(22)10-12-19)15-3-4-20(25)23-14-13-16-5-7-17(8-6-16)21(26)29-2/h5-12H,3-4,13-15H2,1-2H3,(H,23,25)