methyl 3-[(1-ethylsulfonylpiperidin-4-yl)carbonylamino]-3-thiophen-2-yl-propanoate

Systemtic Name: methyl 3-[(1-ethylsulfonylpiperidin-4-yl)carbonylamino]-3-thiophen-2-yl-propanoate Openeye Name: methyl 3-[(1-ethylsulfonylpiperidine-4-carbonyl)amino]-3-(2-thienyl)propanoate CAS Name: 3-[[(1-ethylsulfonyl-4-piperidinyl)-oxomethyl]amino]-3-thiophen-2-ylpropanoic acid methyl ester IUPAC Name: methyl 3-[(1-ethylsulfonylpiperidine-4-carbonyl)amino]-3-thiophen-2-ylpropanoate Traditional Name: 3-[(1-esylisonipecotoyl)amino]-3-(2-thienyl)propionic acid methyl ester Formula: C16H24N2O5S2 MolecularWeight: 388.50216

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CCC(CC1)C(=O)NC(CC(=O)OC)C2=CC=CS2

Isomeric SMILES

CCS(=O)(=O)N1CCC(CC1)C(=O)NC(CC(=O)OC)C2=CC=CS2

InChI

InChI=1S/C16H24N2O5S2/c1-3-25(21,22)18-8-6-12(7-9-18)16(20)17-13(11-15(19)23-2)14-5-4-10-24-14/h4-5,10,12-13H,3,6-9,11H2,1-2H3,(H,17,20)