6-[(3S)-3-methylpiperidin-1-yl]sulfonyl-1-[(6-nitro-4H-1,3-benzodioxin-8-yl)methoxy]benzotriazole

Systemtic Name: 6-[(3S)-3-methylpiperidin-1-yl]sulfonyl-1-[(6-nitro-4H-1,3-benzodioxin-8-yl)methoxy]benzotriazole Openeye Name: 6-[[(3S)-3-methyl-1-piperidyl]sulfonyl]-1-[(6-nitro-4H-1,3-benzodioxin-8-yl)methoxy]benzotriazole CAS Name: 6-[[(3S)-3-methyl-1-piperidinyl]sulfonyl]-1-[(6-nitro-4H-1,3-benzodioxin-8-yl)methoxy]benzotriazole IUPAC Name: 6-[(3S)-3-methylpiperidin-1-yl]sulfonyl-1-[(6-nitro-4H-1,3-benzodioxin-8-yl)methoxy]benzotriazole Traditional Name: 6-[(3S)-3-methylpiperidino]sulfonyl-1-[(6-nitro-4H-1,3-benzodioxin-8-yl)methoxy]benzotriazole Formula: C21H23N5O7S MolecularWeight: 489.50162

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=CC3=C(C=C2)N=NN3OCC4=C5C(=CC(=C4)[N+](=O)[O-])COCO5

Isomeric SMILES

C[C@H]1CCCN(C1)S(=O)(=O)C2=CC3=C(C=C2)N=NN3OCC4=C5C(=CC(=C4)[N+](=O)[O-])COCO5

InChI

InChI=1S/C21H23N5O7S/c1-14-3-2-6-24(10-14)34(29,30)18-4-5-19-20(9-18)25(23-22-19)33-12-16-8-17(26(27)28)7-15-11-31-13-32-21(15)16/h4-5,7-9,14H,2-3,6,10-13H2,1H3/t14-/m0/s1