[1-oxidanylidene-1-(thiophen-2-ylmethylamino)propan-2-yl] 3-piperidin-1-ylsulfonylbenzoate

Systemtic Name: [1-oxidanylidene-1-(thiophen-2-ylmethylamino)propan-2-yl] 3-piperidin-1-ylsulfonylbenzoate Openeye Name: [1-methyl-2-oxo-2-(2-thienylmethylamino)ethyl] 3-(1-piperidylsulfonyl)benzoate CAS Name: 3-(1-piperidinylsulfonyl)benzoic acid [1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] 3-piperidin-1-ylsulfonylbenzoate Traditional Name: 3-piperidinosulfonylbenzoic acid [2-keto-1-methyl-2-(2-thenylamino)ethyl] ester Formula: C20H24N2O5S2 MolecularWeight: 436.54496

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=CS1)OC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC(C(=O)NCC1=CC=CS1)OC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCC3

InChI

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