ethyl 1-[[5-(diethylsulfamoyl)-2-sulfanylidene-1,3-benzoxazol-3-yl]methyl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[[5-(diethylsulfamoyl)-2-sulfanylidene-1,3-benzoxazol-3-yl]methyl]piperidine-3-carboxylate Openeye Name: ethyl 1-[[5-(diethylsulfamoyl)-2-thioxo-1,3-benzoxazol-3-yl]methyl]piperidine-3-carboxylate CAS Name: 1-[[5-(diethylsulfamoyl)-2-sulfanylidene-1,3-benzoxazol-3-yl]methyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[[5-(diethylsulfamoyl)-2-sulfanylidene-1,3-benzoxazol-3-yl]methyl]piperidine-3-carboxylate Traditional Name: 1-[[5-(diethylsulfamoyl)-2-thioxo-1,3-benzoxazol-3-yl]methyl]nipecotic acid ethyl ester Formula: C20H29N3O5S2 MolecularWeight: 455.59136

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC2=C(C=C1)OC(=S)N2CN3CCCC(C3)C(=O)OCC

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC2=C(C=C1)OC(=S)N2CN3CCCC(C3)C(=O)OCC

InChI

InChI=1S/C20H29N3O5S2/c1-4-22(5-2)30(25,26)16-9-10-18-17(12-16)23(20(29)28-18)14-21-11-7-8-15(13-21)19(24)27-6-3/h9-10,12,15H,4-8,11,13-14H2,1-3H3