6-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-1-[(4-methylphenyl)methoxy]benzotriazole

Systemtic Name: 6-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-1-[(4-methylphenyl)methoxy]benzotriazole Openeye Name: 6-[[(3R,5R)-3,5-dimethyl-1-piperidyl]sulfonyl]-1-(p-tolylmethoxy)benzotriazole CAS Name: 6-[[(3R,5R)-3,5-dimethyl-1-piperidinyl]sulfonyl]-1-[(4-methylphenyl)methoxy]benzotriazole IUPAC Name: 6-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-1-[(4-methylphenyl)methoxy]benzotriazole Traditional Name: 6-[(3R,5R)-3,5-dimethylpiperidino]sulfonyl-1-(4-methylbenzyl)oxy-benzotriazole Formula: C21H26N4O3S MolecularWeight: 414.52114

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)S(=O)(=O)C2=CC3=C(C=C2)N=NN3OCC4=CC=C(C=C4)C)C

Isomeric SMILES

C[C@@H]1C[C@H](CN(C1)S(=O)(=O)C2=CC3=C(C=C2)N=NN3OCC4=CC=C(C=C4)C)C

InChI

InChI=1S/C21H26N4O3S/c1-15-4-6-18(7-5-15)14-28-25-21-11-19(8-9-20(21)22-23-25)29(26,27)24-12-16(2)10-17(3)13-24/h4-9,11,16-17H,10,12-14H2,1-3H3/t16-,17-/m1/s1