N-(2,4-dimethylphenyl)-4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-benzamide

Systemtic Name: N-(2,4-dimethylphenyl)-4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-benzamide Openeye Name: N-(2,4-dimethylphenyl)-4-[[(3S,5S)-3,5-dimethyl-1-piperidyl]sulfonyl]benzamide CAS Name: N-(2,4-dimethylphenyl)-4-[[(3S,5S)-3,5-dimethyl-1-piperidinyl]sulfonyl]benzamide IUPAC Name: N-(2,4-dimethylphenyl)-4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonylbenzamide Traditional Name: N-(2,4-dimethylphenyl)-4-[(3S,5S)-3,5-dimethylpiperidino]sulfonyl-benzamide Formula: C22H28N2O3S MolecularWeight: 400.53432

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O3S/c1-15-5-10-21(18(4)12-15)23-22(25)19-6-8-20(9-7-19)28(26,27)24-13-16(2)11-17(3)14-24/h5-10,12,16-17H,11,13-14H2,1-4H3,(H,23,25)/t16-,17-/m0/s1