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

Systemtic Name: methyl (3S)-3-[[(3S)-1-(4-fluorophenyl)sulfonylpiperidin-3-yl]carbonylamino]-3-phenyl-propanoate Openeye Name: methyl (3S)-3-[[(3S)-1-(4-fluorophenyl)sulfonylpiperidine-3-carbonyl]amino]-3-phenyl-propanoate CAS Name: (3S)-3-[[[(3S)-1-(4-fluorophenyl)sulfonyl-3-piperidinyl]-oxomethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (3S)-3-[[(3S)-1-(4-fluorophenyl)sulfonylpiperidine-3-carbonyl]amino]-3-phenylpropanoate Traditional Name: (3S)-3-[[(3S)-1-(4-fluorophenyl)sulfonylnipecotoyl]amino]-3-phenyl-propionic acid methyl ester Formula: C22H25FN2O5S MolecularWeight: 448.507703

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(C1=CC=CC=C1)NC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

COC(=O)C[C@@H](C1=CC=CC=C1)NC(=O)[C@H]2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C22H25FN2O5S/c1-30-21(26)14-20(16-6-3-2-4-7-16)24-22(27)17-8-5-13-25(15-17)31(28,29)19-11-9-18(23)10-12-19/h2-4,6-7,9-12,17,20H,5,8,13-15H2,1H3,(H,24,27)/t17-,20-/m0/s1