1-[(2,5-dimethylphenyl)methoxy]-6-[(3R)-3-methylpiperidin-1-yl]sulfonyl-benzotriazole

Systemtic Name: 1-[(2,5-dimethylphenyl)methoxy]-6-[(3R)-3-methylpiperidin-1-yl]sulfonyl-benzotriazole Openeye Name: 1-[(2,5-dimethylphenyl)methoxy]-6-[[(3R)-3-methyl-1-piperidyl]sulfonyl]benzotriazole CAS Name: 1-[(2,5-dimethylphenyl)methoxy]-6-[[(3R)-3-methyl-1-piperidinyl]sulfonyl]benzotriazole IUPAC Name: 1-[(2,5-dimethylphenyl)methoxy]-6-[(3R)-3-methylpiperidin-1-yl]sulfonylbenzotriazole Traditional Name: 1-(2,5-dimethylbenzyl)oxy-6-[(3R)-3-methylpiperidino]sulfonyl-benzotriazole Formula: C21H26N4O3S MolecularWeight: 414.52114

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=CC3=C(C=C2)N=NN3OCC4=C(C=CC(=C4)C)C

Isomeric SMILES

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

InChI

InChI=1S/C21H26N4O3S/c1-15-6-7-17(3)18(11-15)14-28-25-21-12-19(8-9-20(21)22-23-25)29(26,27)24-10-4-5-16(2)13-24/h6-9,11-12,16H,4-5,10,13-14H2,1-3H3/t16-/m1/s1