methyl (2S)-2-[[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]carbonylamino]-3-phenyl-propanoate

Systemtic Name: methyl (2S)-2-[[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]carbonylamino]-3-phenyl-propanoate Openeye Name: methyl (2S)-2-[[4-(4-fluorophenyl)sulfonylpiperazine-1-carbonyl]amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[[4-(4-fluorophenyl)sulfonyl-1-piperazinyl]-oxomethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[4-(4-fluorophenyl)sulfonylpiperazine-1-carbonyl]amino]-3-phenylpropanoate Traditional Name: (2S)-2-[[4-(4-fluorophenyl)sulfonylpiperazine-1-carbonyl]amino]-3-phenyl-propionic acid methyl ester Formula: C21H24FN3O5S MolecularWeight: 449.495763

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)NC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

COC(=O)[C@H](CC1=CC=CC=C1)NC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H24FN3O5S/c1-30-20(26)19(15-16-5-3-2-4-6-16)23-21(27)24-11-13-25(14-12-24)31(28,29)18-9-7-17(22)8-10-18/h2-10,19H,11-15H2,1H3,(H,23,27)/t19-/m0/s1