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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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