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

Systemtic Name: N-(3,5-dimethylphenyl)-4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-benzamide Openeye Name: N-(3,5-dimethylphenyl)-4-[[(3S,5S)-3,5-dimethyl-1-piperidyl]sulfonyl]benzamide CAS Name: N-(3,5-dimethylphenyl)-4-[[(3S,5S)-3,5-dimethyl-1-piperidinyl]sulfonyl]benzamide IUPAC Name: N-(3,5-dimethylphenyl)-4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonylbenzamide Traditional Name: N-(3,5-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=CC(=CC(=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=CC(=CC(=C3)C)C)C

InChI

InChI=1S/C22H28N2O3S/c1-15-9-16(2)12-20(11-15)23-22(25)19-5-7-21(8-6-19)28(26,27)24-13-17(3)10-18(4)14-24/h5-9,11-12,17-18H,10,13-14H2,1-4H3,(H,23,25)/t17-,18-/m0/s1