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

Systemtic Name: 1-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]sulfonylazepane Openeye Name: 1-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]sulfonylazepane CAS Name: 1-[[4-[(2,5-dimethoxyphenyl)methyl]-1-piperazinyl]sulfonyl]azepane IUPAC Name: 1-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]sulfonylazepane Traditional Name: 1-[4-(2,5-dimethoxybenzyl)piperazino]sulfonylazepane Formula: C19H31N3O4S MolecularWeight: 397.53214

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)CN2CCN(CC2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

COC1=CC(=C(C=C1)OC)CN2CCN(CC2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C19H31N3O4S/c1-25-18-7-8-19(26-2)17(15-18)16-20-11-13-22(14-12-20)27(23,24)21-9-5-3-4-6-10-21/h7-8,15H,3-6,9-14,16H2,1-2H3