(3S)-N-[5-chloranyl-2-(4-methylphenoxy)phenyl]-1-methylsulfonyl-piperidine-3-carboxamide

Systemtic Name: (3S)-N-[5-chloranyl-2-(4-methylphenoxy)phenyl]-1-methylsulfonyl-piperidine-3-carboxamide Openeye Name: (3S)-N-[5-chloro-2-(4-methylphenoxy)phenyl]-1-methylsulfonyl-piperidine-3-carboxamide CAS Name: (3S)-N-[5-chloro-2-(4-methylphenoxy)phenyl]-1-methylsulfonyl-3-piperidinecarboxamide IUPAC Name: (3S)-N-[5-chloro-2-(4-methylphenoxy)phenyl]-1-methylsulfonylpiperidine-3-carboxamide Traditional Name: (3S)-N-[5-chloro-2-(4-methylphenoxy)phenyl]-1-mesyl-nipecotamide Formula: C20H23ClN2O4S MolecularWeight: 422.92562

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OC2=C(C=C(C=C2)Cl)NC(=O)C3CCCN(C3)S(=O)(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)OC2=C(C=C(C=C2)Cl)NC(=O)[C@H]3CCCN(C3)S(=O)(=O)C

InChI

InChI=1S/C20H23ClN2O4S/c1-14-5-8-17(9-6-14)27-19-10-7-16(21)12-18(19)22-20(24)15-4-3-11-23(13-15)28(2,25)26/h5-10,12,15H,3-4,11,13H2,1-2H3,(H,22,24)/t15-/m0/s1