N-[5-[(2-chloranyl-3-methyl-phenyl)methyl]-1,3-thiazol-2-yl]-1-methylsulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[5-[(2-chloranyl-3-methyl-phenyl)methyl]-1,3-thiazol-2-yl]-1-methylsulfonyl-piperidine-4-carboxamide Openeye Name: N-[5-[(2-chloro-3-methyl-phenyl)methyl]thiazol-2-yl]-1-methylsulfonyl-piperidine-4-carboxamide CAS Name: N-[5-[(2-chloro-3-methylphenyl)methyl]-2-thiazolyl]-1-methylsulfonyl-4-piperidinecarboxamide IUPAC Name: N-[5-[(2-chloro-3-methylphenyl)methyl]-1,3-thiazol-2-yl]-1-methylsulfonylpiperidine-4-carboxamide Traditional Name: N-[5-(2-chloro-3-methyl-benzyl)thiazol-2-yl]-1-mesyl-isonipecotamide Formula: C18H22ClN3O3S2 MolecularWeight: 427.96858

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)CC2=CN=C(S2)NC(=O)C3CCN(CC3)S(=O)(=O)C)Cl

Isomeric SMILES

CC1=C(C(=CC=C1)CC2=CN=C(S2)NC(=O)C3CCN(CC3)S(=O)(=O)C)Cl

InChI

InChI=1S/C18H22ClN3O3S2/c1-12-4-3-5-14(16(12)19)10-15-11-20-18(26-15)21-17(23)13-6-8-22(9-7-13)27(2,24)25/h3-5,11,13H,6-10H2,1-2H3,(H,20,21,23)