(3S)-N-(2,5-dimethylphenyl)-1-(4-fluorophenyl)sulfonyl-piperidine-3-carboxamide

Systemtic Name: (3S)-N-(2,5-dimethylphenyl)-1-(4-fluorophenyl)sulfonyl-piperidine-3-carboxamide Openeye Name: (3S)-N-(2,5-dimethylphenyl)-1-(4-fluorophenyl)sulfonyl-piperidine-3-carboxamide CAS Name: (3S)-N-(2,5-dimethylphenyl)-1-(4-fluorophenyl)sulfonyl-3-piperidinecarboxamide IUPAC Name: (3S)-N-(2,5-dimethylphenyl)-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide Traditional Name: (3S)-N-(2,5-dimethylphenyl)-1-(4-fluorophenyl)sulfonyl-nipecotamide Formula: C20H23FN2O3S MolecularWeight: 390.471623

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23FN2O3S/c1-14-5-6-15(2)19(12-14)22-20(24)16-4-3-11-23(13-16)27(25,26)18-9-7-17(21)8-10-18/h5-10,12,16H,3-4,11,13H2,1-2H3,(H,22,24)/t16-/m0/s1