butyl 4-[2-[(5-fluoranyl-2-methoxy-phenyl)sulfonyl-methyl-amino]ethanoylamino]benzoate

Systemtic Name: butyl 4-[2-[(5-fluoranyl-2-methoxy-phenyl)sulfonyl-methyl-amino]ethanoylamino]benzoate Openeye Name: butyl 4-[[2-[(5-fluoro-2-methoxy-phenyl)sulfonyl-methyl-amino]acetyl]amino]benzoate CAS Name: 4-[[2-[(5-fluoro-2-methoxyphenyl)sulfonyl-methylamino]-1-oxoethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-[(5-fluoro-2-methoxyphenyl)sulfonyl-methylamino]acetyl]amino]benzoate Traditional Name: 4-[[2-[(5-fluoro-2-methoxy-phenyl)sulfonyl-methyl-amino]acetyl]amino]benzoic acid butyl ester Formula: C21H25FN2O6S MolecularWeight: 452.496403

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CN(C)S(=O)(=O)C2=C(C=CC(=C2)F)OC

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CN(C)S(=O)(=O)C2=C(C=CC(=C2)F)OC

InChI

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