N-[4-(cyanomethyl)phenyl]-4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-benzamide

Systemtic Name: N-[4-(cyanomethyl)phenyl]-4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-benzamide Openeye Name: N-[4-(cyanomethyl)phenyl]-4-[[(3R,5R)-3,5-dimethyl-1-piperidyl]sulfonyl]benzamide CAS Name: N-[4-(cyanomethyl)phenyl]-4-[[(3R,5R)-3,5-dimethyl-1-piperidinyl]sulfonyl]benzamide IUPAC Name: N-[4-(cyanomethyl)phenyl]-4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylbenzamide Traditional Name: N-[4-(cyanomethyl)phenyl]-4-[(3R,5R)-3,5-dimethylpiperidino]sulfonyl-benzamide Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)CC#N)C

Isomeric SMILES

C[C@@H]1C[C@H](CN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)CC#N)C

InChI

InChI=1S/C22H25N3O3S/c1-16-13-17(2)15-25(14-16)29(27,28)21-9-5-19(6-10-21)22(26)24-20-7-3-18(4-8-20)11-12-23/h3-10,16-17H,11,13-15H2,1-2H3,(H,24,26)/t16-,17-/m1/s1