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

Systemtic Name: methyl 3-phenyl-3-[(1-thiophen-2-ylsulfonylpiperidin-3-yl)carbonylamino]propanoate Openeye Name: methyl 3-phenyl-3-[[1-(2-thienylsulfonyl)piperidine-3-carbonyl]amino]propanoate CAS Name: 3-[[oxo-(1-thiophen-2-ylsulfonyl-3-piperidinyl)methyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl 3-phenyl-3-[(1-thiophen-2-ylsulfonylpiperidine-3-carbonyl)amino]propanoate Traditional Name: 3-phenyl-3-[[1-(2-thienylsulfonyl)nipecotoyl]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)C2CCCN(C2)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

COC(=O)CC(C1=CC=CC=C1)NC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=CS3

InChI

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