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

Systemtic Name: N-(6-bromanyl-3-methyl-1,3-benzothiazol-2-ylidene)-4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-benzamide Openeye Name: N-(6-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-4-[[(3R,5R)-3,5-dimethyl-1-piperidyl]sulfonyl]benzamide CAS Name: N-(6-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-4-[[(3R,5R)-3,5-dimethyl-1-piperidinyl]sulfonyl]benzamide IUPAC Name: N-(6-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylbenzamide Traditional Name: N-(6-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-4-[(3R,5R)-3,5-dimethylpiperidino]sulfonyl-benzamide Formula: C22H24BrN3O3S2 MolecularWeight: 522.47826

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N=C3N(C4=C(S3)C=C(C=C4)Br)C)C

Isomeric SMILES

C[C@@H]1C[C@H](CN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N=C3N(C4=C(S3)C=C(C=C4)Br)C)C

InChI

InChI=1S/C22H24BrN3O3S2/c1-14-10-15(2)13-26(12-14)31(28,29)18-7-4-16(5-8-18)21(27)24-22-25(3)19-9-6-17(23)11-20(19)30-22/h4-9,11,14-15H,10,12-13H2,1-3H3/t14-,15-/m1/s1