methyl (3S)-3-(4-chlorophenyl)-3-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)carbonylamino]propanoate

Systemtic Name: methyl (3S)-3-(4-chlorophenyl)-3-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)carbonylamino]propanoate Openeye Name: methyl (3S)-3-(4-chlorophenyl)-3-[[1-(3-pyridylsulfonyl)piperidine-4-carbonyl]amino]propanoate CAS Name: (3S)-3-(4-chlorophenyl)-3-[[oxo-[1-(3-pyridinylsulfonyl)-4-piperidinyl]methyl]amino]propanoic acid methyl ester IUPAC Name: methyl (3S)-3-(4-chlorophenyl)-3-[(1-pyridin-3-ylsulfonylpiperidine-4-carbonyl)amino]propanoate Traditional Name: (3S)-3-(4-chlorophenyl)-3-[[1-(3-pyridylsulfonyl)isonipecotoyl]amino]propionic acid methyl ester Formula: C21H24ClN3O5S MolecularWeight: 465.95036

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(C1=CC=C(C=C1)Cl)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CN=CC=C3

Isomeric SMILES

COC(=O)C[C@@H](C1=CC=C(C=C1)Cl)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CN=CC=C3

InChI

InChI=1S/C21H24ClN3O5S/c1-30-20(26)13-19(15-4-6-17(22)7-5-15)24-21(27)16-8-11-25(12-9-16)31(28,29)18-3-2-10-23-14-18/h2-7,10,14,16,19H,8-9,11-13H2,1H3,(H,24,27)/t19-/m0/s1