(4-chloranyl-2-methyl-phenyl) (3S)-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxylate

Systemtic Name: (4-chloranyl-2-methyl-phenyl) (3S)-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxylate Openeye Name: (4-chloro-2-methyl-phenyl) (3S)-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxylate CAS Name: (3S)-1-(4-fluorophenyl)sulfonyl-3-piperidinecarboxylic acid (4-chloro-2-methylphenyl) ester IUPAC Name: (4-chloro-2-methylphenyl) (3S)-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxylate Traditional Name: (3S)-1-(4-fluorophenyl)sulfonylnipecotic acid (4-chloro-2-methyl-phenyl) ester Formula: C19H19ClFNO4S MolecularWeight: 411.874863

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Cl)OC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)OC(=O)[C@H]2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C19H19ClFNO4S/c1-13-11-15(20)4-9-18(13)26-19(23)14-3-2-10-22(12-14)27(24,25)17-7-5-16(21)6-8-17/h4-9,11,14H,2-3,10,12H2,1H3/t14-/m0/s1