4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)benzamide

Systemtic Name: 4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)benzamide Openeye Name: 4-[[(3R,5R)-3,5-dimethyl-1-piperidyl]sulfonyl]-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)benzamide CAS Name: 4-[[(3R,5R)-3,5-dimethyl-1-piperidinyl]sulfonyl]-N-[2-(methylthio)-1,3-benzothiazol-6-yl]benzamide IUPAC Name: 4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)benzamide Traditional Name: 4-[(3R,5R)-3,5-dimethylpiperidino]sulfonyl-N-[2-(methylthio)-1,3-benzothiazol-6-yl]benzamide Formula: C22H25N3O3S3 MolecularWeight: 475.6472

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=CC4=C(C=C3)N=C(S4)SC)C

Isomeric SMILES

C[C@@H]1C[C@H](CN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=CC4=C(C=C3)N=C(S4)SC)C

InChI

InChI=1S/C22H25N3O3S3/c1-14-10-15(2)13-25(12-14)31(27,28)18-7-4-16(5-8-18)21(26)23-17-6-9-19-20(11-17)30-22(24-19)29-3/h4-9,11,14-15H,10,12-13H2,1-3H3,(H,23,26)/t14-,15-/m1/s1