tert-butyl 3-[[5-[[(4-chlorophenyl)carbonylamino]methyl]thiophen-2-yl]sulfonylamino]piperidine-1-carboxylate

Systemtic Name: tert-butyl 3-[[5-[[(4-chlorophenyl)carbonylamino]methyl]thiophen-2-yl]sulfonylamino]piperidine-1-carboxylate Openeye Name: tert-butyl 3-[[5-[[(4-chlorobenzoyl)amino]methyl]-2-thienyl]sulfonylamino]piperidine-1-carboxylate CAS Name: 3-[[5-[[[(4-chlorophenyl)-oxomethyl]amino]methyl]-2-thiophenyl]sulfonylamino]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[[5-[[(4-chlorobenzoyl)amino]methyl]thiophen-2-yl]sulfonylamino]piperidine-1-carboxylate Traditional Name: 3-[[5-[[(4-chlorobenzoyl)amino]methyl]-2-thienyl]sulfonylamino]piperidine-1-carboxylic acid tert-butyl ester Formula: C22H28ClN3O5S2 MolecularWeight: 514.05782

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC(C1)NS(=O)(=O)C2=CC=C(S2)CNC(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCC(C1)NS(=O)(=O)C2=CC=C(S2)CNC(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H28ClN3O5S2/c1-22(2,3)31-21(28)26-12-4-5-17(14-26)25-33(29,30)19-11-10-18(32-19)13-24-20(27)15-6-8-16(23)9-7-15/h6-11,17,25H,4-5,12-14H2,1-3H3,(H,24,27)