methyl 3-phenyl-3-[(1-thiophen-2-ylsulfonylpiperidin-4-yl)carbonylamino]propanoate

Systemtic Name: methyl 3-phenyl-3-[(1-thiophen-2-ylsulfonylpiperidin-4-yl)carbonylamino]propanoate Openeye Name: methyl 3-phenyl-3-[[1-(2-thienylsulfonyl)piperidine-4-carbonyl]amino]propanoate CAS Name: 3-[[oxo-(1-thiophen-2-ylsulfonyl-4-piperidinyl)methyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl 3-phenyl-3-[(1-thiophen-2-ylsulfonylpiperidine-4-carbonyl)amino]propanoate Traditional Name: 3-phenyl-3-[[1-(2-thienylsulfonyl)isonipecotoyl]amino]propionic acid methyl ester Formula: C20H24N2O5S2 MolecularWeight: 436.54496

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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=CC=CS3

Isomeric SMILES

COC(=O)CC(C1=CC=CC=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C20H24N2O5S2/c1-27-18(23)14-17(15-6-3-2-4-7-15)21-20(24)16-9-11-22(12-10-16)29(25,26)19-8-5-13-28-19/h2-8,13,16-17H,9-12,14H2,1H3,(H,21,24)