3-[3-[4-(phenylmethyl)piperazin-1-yl]sulfonylphenyl]sulfonylthiolane 1,1-dioxide

Systemtic Name: 3-[3-[4-(phenylmethyl)piperazin-1-yl]sulfonylphenyl]sulfonylthiolane 1,1-dioxide Openeye Name: 3-[3-(4-benzylpiperazin-1-yl)sulfonylphenyl]sulfonylthiolane 1,1-dioxide CAS Name: 3-[3-[[4-(phenylmethyl)-1-piperazinyl]sulfonyl]phenyl]sulfonylthiolane 1,1-dioxide IUPAC Name: 3-[3-(4-benzylpiperazin-1-yl)sulfonylphenyl]sulfonylthiolane 1,1-dioxide Traditional Name: 3-[3-(4-benzylpiperazino)sulfonylphenyl]sulfonylsulfolane Formula: C21H26N2O6S3 MolecularWeight: 498.63594

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Descriptors Computed from Structure

Canonical SMILES:

C1CS(=O)(=O)CC1S(=O)(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

C1CS(=O)(=O)CC1S(=O)(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C21H26N2O6S3/c24-30(25)14-9-21(17-30)31(26,27)19-7-4-8-20(15-19)32(28,29)23-12-10-22(11-13-23)16-18-5-2-1-3-6-18/h1-8,15,21H,9-14,16-17H2