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

Systemtic Name: N-(1,3-benzothiazol-6-yl)-4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-benzamide Openeye Name: N-(1,3-benzothiazol-6-yl)-4-[[(3R,5R)-3,5-dimethyl-1-piperidyl]sulfonyl]benzamide CAS Name: N-(1,3-benzothiazol-6-yl)-4-[[(3R,5R)-3,5-dimethyl-1-piperidinyl]sulfonyl]benzamide IUPAC Name: N-(1,3-benzothiazol-6-yl)-4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylbenzamide Traditional Name: N-(1,3-benzothiazol-6-yl)-4-[(3R,5R)-3,5-dimethylpiperidino]sulfonyl-benzamide Formula: C21H23N3O3S2 MolecularWeight: 429.55562

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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=CS4)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=CS4)C

InChI

InChI=1S/C21H23N3O3S2/c1-14-9-15(2)12-24(11-14)29(26,27)18-6-3-16(4-7-18)21(25)23-17-5-8-19-20(10-17)28-13-22-19/h3-8,10,13-15H,9,11-12H2,1-2H3,(H,23,25)/t14-,15-/m1/s1