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

Systemtic Name: methyl 2-[4-[(4-fluorophenyl)sulfonyl-methyl-amino]butanoylamino]-4,5-dimethoxy-benzoate Openeye Name: methyl 2-[4-[(4-fluorophenyl)sulfonyl-methyl-amino]butanoylamino]-4,5-dimethoxy-benzoate CAS Name: 2-[[4-[(4-fluorophenyl)sulfonyl-methylamino]-1-oxobutyl]amino]-4,5-dimethoxybenzoic acid methyl ester IUPAC Name: methyl 2-[4-[(4-fluorophenyl)sulfonyl-methylamino]butanoylamino]-4,5-dimethoxybenzoate Traditional Name: 2-[4-[(4-fluorophenyl)sulfonyl-methyl-amino]butanoylamino]-4,5-dimethoxy-benzoic acid methyl ester Formula: C21H25FN2O7S MolecularWeight: 468.495803

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCC(=O)NC1=CC(=C(C=C1C(=O)OC)OC)OC)S(=O)(=O)C2=CC=C(C=C2)F

Isomeric SMILES

CN(CCCC(=O)NC1=CC(=C(C=C1C(=O)OC)OC)OC)S(=O)(=O)C2=CC=C(C=C2)F

InChI

InChI=1S/C21H25FN2O7S/c1-24(32(27,28)15-9-7-14(22)8-10-15)11-5-6-20(25)23-17-13-19(30-3)18(29-2)12-16(17)21(26)31-4/h7-10,12-13H,5-6,11H2,1-4H3,(H,23,25)