methyl 3-phenyl-3-[2-(5-piperidin-1-ylsulfonylthiophen-2-yl)ethanoylamino]propanoate

Systemtic Name: methyl 3-phenyl-3-[2-(5-piperidin-1-ylsulfonylthiophen-2-yl)ethanoylamino]propanoate Openeye Name: methyl 3-phenyl-3-[[2-[5-(1-piperidylsulfonyl)-2-thienyl]acetyl]amino]propanoate CAS Name: 3-[[1-oxo-2-[5-(1-piperidinylsulfonyl)-2-thiophenyl]ethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl 3-phenyl-3-[[2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetyl]amino]propanoate Traditional Name: 3-phenyl-3-[[2-(5-piperidinosulfonyl-2-thienyl)acetyl]amino]propionic acid methyl ester Formula: C21H26N2O5S2 MolecularWeight: 450.57154

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(C1=CC=CC=C1)NC(=O)CC2=CC=C(S2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

COC(=O)CC(C1=CC=CC=C1)NC(=O)CC2=CC=C(S2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C21H26N2O5S2/c1-28-20(25)15-18(16-8-4-2-5-9-16)22-19(24)14-17-10-11-21(29-17)30(26,27)23-12-6-3-7-13-23/h2,4-5,8-11,18H,3,6-7,12-15H2,1H3,(H,22,24)