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

Systemtic Name: methyl 3-phenyl-3-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)carbonylamino]propanoate Openeye Name: methyl 3-phenyl-3-[[1-(3-pyridylsulfonyl)piperidine-4-carbonyl]amino]propanoate CAS Name: 3-[[oxo-[1-(3-pyridinylsulfonyl)-4-piperidinyl]methyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl 3-phenyl-3-[(1-pyridin-3-ylsulfonylpiperidine-4-carbonyl)amino]propanoate Traditional Name: 3-phenyl-3-[[1-(3-pyridylsulfonyl)isonipecotoyl]amino]propionic acid methyl ester Formula: C21H25N3O5S MolecularWeight: 431.5053

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O5S/c1-29-20(25)14-19(16-6-3-2-4-7-16)23-21(26)17-9-12-24(13-10-17)30(27,28)18-8-5-11-22-15-18/h2-8,11,15,17,19H,9-10,12-14H2,1H3,(H,23,26)