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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)CC2=CN=C(S2)NC(=O)C3CCCN(C3)S(=O)(=O)C)Cl

Isomeric SMILES

CC1=C(C(=CC=C1)CC2=CN=C(S2)NC(=O)[C@H]3CCCN(C3)S(=O)(=O)C)Cl

InChI

InChI=1S/C18H22ClN3O3S2/c1-12-5-3-6-13(16(12)19)9-15-10-20-18(26-15)21-17(23)14-7-4-8-22(11-14)27(2,24)25/h3,5-6,10,14H,4,7-9,11H2,1-2H3,(H,20,21,23)/t14-/m0/s1