1-[4-(phenylsulfonyl)piperazin-1-yl]sulfonylazepane

Systemtic Name: 1-[4-(phenylsulfonyl)piperazin-1-yl]sulfonylazepane Openeye Name: 1-[4-(benzenesulfonyl)piperazin-1-yl]sulfonylazepane CAS Name: 1-[[4-(benzenesulfonyl)-1-piperazinyl]sulfonyl]azepane IUPAC Name: 1-[4-(benzenesulfonyl)piperazin-1-yl]sulfonylazepane Traditional Name: 1-(4-besylpiperazino)sulfonylazepane Formula: C16H25N3O4S2 MolecularWeight: 387.5174

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C16H25N3O4S2/c20-24(21,16-8-4-3-5-9-16)17-12-14-19(15-13-17)25(22,23)18-10-6-1-2-7-11-18/h3-5,8-9H,1-2,6-7,10-15H2