methyl 3-[2-[(4-fluorophenyl)sulfonyl-methyl-amino]ethanoylamino]-3-phenyl-propanoate

Systemtic Name: methyl 3-[2-[(4-fluorophenyl)sulfonyl-methyl-amino]ethanoylamino]-3-phenyl-propanoate Openeye Name: methyl 3-[[2-[(4-fluorophenyl)sulfonyl-methyl-amino]acetyl]amino]-3-phenyl-propanoate CAS Name: 3-[[2-[(4-fluorophenyl)sulfonyl-methylamino]-1-oxoethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl 3-[[2-[(4-fluorophenyl)sulfonyl-methylamino]acetyl]amino]-3-phenylpropanoate Traditional Name: 3-[[2-[(4-fluorophenyl)sulfonyl-methyl-amino]acetyl]amino]-3-phenyl-propionic acid methyl ester Formula: C19H21FN2O5S MolecularWeight: 408.443843

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21FN2O5S/c1-22(28(25,26)16-10-8-15(20)9-11-16)13-18(23)21-17(12-19(24)27-2)14-6-4-3-5-7-14/h3-11,17H,12-13H2,1-2H3,(H,21,23)