3-cyano-N-[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylphenyl]benzamide

Systemtic Name: 3-cyano-N-[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylphenyl]benzamide Openeye Name: 3-cyano-N-[4-[[(3R,5R)-3,5-dimethyl-1-piperidyl]sulfonyl]phenyl]benzamide CAS Name: 3-cyano-N-[4-[[(3R,5R)-3,5-dimethyl-1-piperidinyl]sulfonyl]phenyl]benzamide IUPAC Name: 3-cyano-N-[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylphenyl]benzamide Traditional Name: 3-cyano-N-[4-[(3R,5R)-3,5-dimethylpiperidino]sulfonylphenyl]benzamide Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CC(=C3)C#N)C

Isomeric SMILES

C[C@@H]1C[C@H](CN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CC(=C3)C#N)C

InChI

InChI=1S/C21H23N3O3S/c1-15-10-16(2)14-24(13-15)28(26,27)20-8-6-19(7-9-20)23-21(25)18-5-3-4-17(11-18)12-22/h3-9,11,15-16H,10,13-14H2,1-2H3,(H,23,25)/t15-,16-/m1/s1