N-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]cyclohexyl]-4-chloranyl-benzenesulfonamide

Systemtic Name: N-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]cyclohexyl]-4-chloranyl-benzenesulfonamide Openeye Name: N-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]cyclohexyl]-4-chloro-benzenesulfonamide CAS Name: N-[2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]cyclohexyl]-4-chlorobenzenesulfonamide IUPAC Name: N-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]cyclohexyl]-4-chlorobenzenesulfonamide Traditional Name: 4-chloro-N-[2-(4-piperonylpiperazino)cyclohexyl]benzenesulfonamide Formula: C24H30ClN3O4S MolecularWeight: 492.0307

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)NS(=O)(=O)C2=CC=C(C=C2)Cl)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CCC(C(C1)NS(=O)(=O)C2=CC=C(C=C2)Cl)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C24H30ClN3O4S/c25-19-6-8-20(9-7-19)33(29,30)26-21-3-1-2-4-22(21)28-13-11-27(12-14-28)16-18-5-10-23-24(15-18)32-17-31-23/h5-10,15,21-22,26H,1-4,11-14,16-17H2