1-[2,4-bis-(4-methylphenyl)sulfonyl-1,3-thiazol-5-yl]piperidine-4-carboxamide

Systemtic Name: 1-[2,4-bis-(4-methylphenyl)sulfonyl-1,3-thiazol-5-yl]piperidine-4-carboxamide Openeye Name: 1-[2,4-bis(p-tolylsulfonyl)thiazol-5-yl]piperidine-4-carboxamide CAS Name: 1-[2,4-bis-(4-methylphenyl)sulfonyl-5-thiazolyl]-4-piperidinecarboxamide IUPAC Name: 1-[2,4-bis-(4-methylphenyl)sulfonyl-1,3-thiazol-5-yl]piperidine-4-carboxamide Traditional Name: 1-(2,4-ditosylthiazol-5-yl)isonipecotamide Formula: C23H25N3O5S3 MolecularWeight: 519.6567

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2=C(SC(=N2)S(=O)(=O)C3=CC=C(C=C3)C)N4CCC(CC4)C(=O)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=C(SC(=N2)S(=O)(=O)C3=CC=C(C=C3)C)N4CCC(CC4)C(=O)N

InChI

InChI=1S/C23H25N3O5S3/c1-15-3-7-18(8-4-15)33(28,29)21-22(26-13-11-17(12-14-26)20(24)27)32-23(25-21)34(30,31)19-9-5-16(2)6-10-19/h3-10,17H,11-14H2,1-2H3,(H2,24,27)