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

Systemtic Name: methyl 5-[[4-[(4-fluorophenyl)sulfonyl-methyl-amino]butanoylamino]methyl]-2-methoxy-benzoate Openeye Name: methyl 5-[[4-[(4-fluorophenyl)sulfonyl-methyl-amino]butanoylamino]methyl]-2-methoxy-benzoate CAS Name: 5-[[[4-[(4-fluorophenyl)sulfonyl-methylamino]-1-oxobutyl]amino]methyl]-2-methoxybenzoic acid methyl ester IUPAC Name: methyl 5-[[4-[(4-fluorophenyl)sulfonyl-methylamino]butanoylamino]methyl]-2-methoxybenzoate Traditional Name: 5-[[4-[(4-fluorophenyl)sulfonyl-methyl-amino]butanoylamino]methyl]-2-methoxy-benzoic acid methyl ester Formula: C21H25FN2O6S MolecularWeight: 452.496403

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25FN2O6S/c1-24(31(27,28)17-9-7-16(22)8-10-17)12-4-5-20(25)23-14-15-6-11-19(29-2)18(13-15)21(26)30-3/h6-11,13H,4-5,12,14H2,1-3H3,(H,23,25)