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

Systemtic Name: methyl (3S)-3-(4-methylphenyl)-3-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)carbonylamino]propanoate Openeye Name: methyl (3S)-3-(p-tolyl)-3-[[1-(3-pyridylsulfonyl)piperidine-4-carbonyl]amino]propanoate CAS Name: (3S)-3-(4-methylphenyl)-3-[[oxo-[1-(3-pyridinylsulfonyl)-4-piperidinyl]methyl]amino]propanoic acid methyl ester IUPAC Name: methyl (3S)-3-(4-methylphenyl)-3-[(1-pyridin-3-ylsulfonylpiperidine-4-carbonyl)amino]propanoate Traditional Name: (3S)-3-(p-tolyl)-3-[[1-(3-pyridylsulfonyl)isonipecotoyl]amino]propionic acid methyl ester Formula: C22H27N3O5S MolecularWeight: 445.53188

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(CC(=O)OC)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CN=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)[C@H](CC(=O)OC)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CN=CC=C3

InChI

InChI=1S/C22H27N3O5S/c1-16-5-7-17(8-6-16)20(14-21(26)30-2)24-22(27)18-9-12-25(13-10-18)31(28,29)19-4-3-11-23-15-19/h3-8,11,15,18,20H,9-10,12-14H2,1-2H3,(H,24,27)/t20-/m0/s1