methyl 4-[[2-(5-piperidin-1-ylsulfonylthiophen-2-yl)ethanoylamino]methyl]benzoate

Systemtic Name: methyl 4-[[2-(5-piperidin-1-ylsulfonylthiophen-2-yl)ethanoylamino]methyl]benzoate Openeye Name: methyl 4-[[[2-[5-(1-piperidylsulfonyl)-2-thienyl]acetyl]amino]methyl]benzoate CAS Name: 4-[[[1-oxo-2-[5-(1-piperidinylsulfonyl)-2-thiophenyl]ethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetyl]amino]methyl]benzoate Traditional Name: 4-[[[2-(5-piperidinosulfonyl-2-thienyl)acetyl]amino]methyl]benzoic acid methyl ester Formula: C20H24N2O5S2 MolecularWeight: 436.54496

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N2O5S2/c1-27-20(24)16-7-5-15(6-8-16)14-21-18(23)13-17-9-10-19(28-17)29(25,26)22-11-3-2-4-12-22/h5-10H,2-4,11-14H2,1H3,(H,21,23)