1-[2-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]sulfonylethyl]benzotriazole

Systemtic Name: 1-[2-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]sulfonylethyl]benzotriazole Openeye Name: 1-[2-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]sulfonylethyl]benzotriazole CAS Name: 1-[2-[[4-[(2,5-dimethoxyphenyl)methyl]-1-piperazinyl]sulfonyl]ethyl]benzotriazole IUPAC Name: 1-[2-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]sulfonylethyl]benzotriazole Traditional Name: 1-[2-[4-(2,5-dimethoxybenzyl)piperazino]sulfonylethyl]benzotriazole Formula: C21H27N5O4S MolecularWeight: 445.53518

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)CN2CCN(CC2)S(=O)(=O)CCN3C4=CC=CC=C4N=N3

Isomeric SMILES

COC1=CC(=C(C=C1)OC)CN2CCN(CC2)S(=O)(=O)CCN3C4=CC=CC=C4N=N3

InChI

InChI=1S/C21H27N5O4S/c1-29-18-7-8-21(30-2)17(15-18)16-24-9-11-25(12-10-24)31(27,28)14-13-26-20-6-4-3-5-19(20)22-23-26/h3-8,15H,9-14,16H2,1-2H3