1-[(3-methoxyphenyl)methoxy]-6-[(3S)-3-methylpiperidin-1-yl]sulfonyl-benzotriazole

Systemtic Name: 1-[(3-methoxyphenyl)methoxy]-6-[(3S)-3-methylpiperidin-1-yl]sulfonyl-benzotriazole Openeye Name: 1-[(3-methoxyphenyl)methoxy]-6-[[(3S)-3-methyl-1-piperidyl]sulfonyl]benzotriazole CAS Name: 1-[(3-methoxyphenyl)methoxy]-6-[[(3S)-3-methyl-1-piperidinyl]sulfonyl]benzotriazole IUPAC Name: 1-[(3-methoxyphenyl)methoxy]-6-[(3S)-3-methylpiperidin-1-yl]sulfonylbenzotriazole Traditional Name: 1-m-anisyloxy-6-[(3S)-3-methylpiperidino]sulfonyl-benzotriazole Formula: C20H24N4O4S MolecularWeight: 416.49396

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N4O4S/c1-15-5-4-10-23(13-15)29(25,26)18-8-9-19-20(12-18)24(22-21-19)28-14-16-6-3-7-17(11-16)27-2/h3,6-9,11-12,15H,4-5,10,13-14H2,1-2H3/t15-/m0/s1