1-[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]sulfonylphenyl]sulfonylazepane

Systemtic Name: 1-[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]sulfonylphenyl]sulfonylazepane Openeye Name: 1-[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]sulfonylphenyl]sulfonylazepane CAS Name: 1-[4-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]sulfonyl]phenyl]sulfonylazepane IUPAC Name: 1-[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]sulfonylphenyl]sulfonylazepane Traditional Name: 1-[4-(4-piperonylpiperazino)sulfonylphenyl]sulfonylazepane Formula: C24H31N3O6S2 MolecularWeight: 521.64944

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C24H31N3O6S2/c28-34(29,26-11-3-1-2-4-12-26)21-6-8-22(9-7-21)35(30,31)27-15-13-25(14-16-27)18-20-5-10-23-24(17-20)33-19-32-23/h5-10,17H,1-4,11-16,18-19H2