methyl 3-[[1-(phenylsulfonyl)piperidin-3-yl]carbonylamino]-3-thiophen-2-yl-propanoate

Systemtic Name: methyl 3-[[1-(phenylsulfonyl)piperidin-3-yl]carbonylamino]-3-thiophen-2-yl-propanoate Openeye Name: methyl 3-[[1-(benzenesulfonyl)piperidine-3-carbonyl]amino]-3-(2-thienyl)propanoate CAS Name: 3-[[[1-(benzenesulfonyl)-3-piperidinyl]-oxomethyl]amino]-3-thiophen-2-ylpropanoic acid methyl ester IUPAC Name: methyl 3-[[1-(benzenesulfonyl)piperidine-3-carbonyl]amino]-3-thiophen-2-ylpropanoate Traditional Name: 3-[(1-besylnipecotoyl)amino]-3-(2-thienyl)propionic acid methyl ester Formula: C20H24N2O5S2 MolecularWeight: 436.54496

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(C1=CC=CS1)NC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

COC(=O)CC(C1=CC=CS1)NC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=CC=C3

InChI

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