methyl 3-[4-[(4-fluorophenyl)sulfonyl-methyl-amino]butanoylamino]thiophene-2-carboxylate

Systemtic Name: methyl 3-[4-[(4-fluorophenyl)sulfonyl-methyl-amino]butanoylamino]thiophene-2-carboxylate Openeye Name: methyl 3-[4-[(4-fluorophenyl)sulfonyl-methyl-amino]butanoylamino]thiophene-2-carboxylate CAS Name: 3-[[4-[(4-fluorophenyl)sulfonyl-methylamino]-1-oxobutyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[4-[(4-fluorophenyl)sulfonyl-methylamino]butanoylamino]thiophene-2-carboxylate Traditional Name: 3-[4-[(4-fluorophenyl)sulfonyl-methyl-amino]butanoylamino]thiophene-2-carboxylic acid methyl ester Formula: C17H19FN2O5S2 MolecularWeight: 414.471563

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCC(=O)NC1=C(SC=C1)C(=O)OC)S(=O)(=O)C2=CC=C(C=C2)F

Isomeric SMILES

CN(CCCC(=O)NC1=C(SC=C1)C(=O)OC)S(=O)(=O)C2=CC=C(C=C2)F

InChI

InChI=1S/C17H19FN2O5S2/c1-20(27(23,24)13-7-5-12(18)6-8-13)10-3-4-15(21)19-14-9-11-26-16(14)17(22)25-2/h5-9,11H,3-4,10H2,1-2H3,(H,19,21)