2-phenyl-3-[4-(phenylmethyl)piperazin-1-yl]-2,3-dihydro-1-benzothiophene 1,1-dioxide

Systemtic Name: 2-phenyl-3-[4-(phenylmethyl)piperazin-1-yl]-2,3-dihydro-1-benzothiophene 1,1-dioxide Openeye Name: 3-(4-benzylpiperazin-1-yl)-2-phenyl-2,3-dihydrobenzothiophene 1,1-dioxide CAS Name: 2-phenyl-3-[4-(phenylmethyl)-1-piperazinyl]-2,3-dihydro-1-benzothiophene 1,1-dioxide IUPAC Name: 3-(4-benzylpiperazin-1-yl)-2-phenyl-2,3-dihydro-1-benzothiophene 1,1-dioxide Traditional Name: 3-(4-benzylpiperazino)-2-phenyl-2,3-dihydrobenzothiophene 1,1-dioxide Formula: C25H26N2O2S MolecularWeight: 418.55114

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C3C(S(=O)(=O)C4=CC=CC=C34)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C3C(S(=O)(=O)C4=CC=CC=C34)C5=CC=CC=C5

InChI

InChI=1S/C25H26N2O2S/c28-30(29)23-14-8-7-13-22(23)24(25(30)21-11-5-2-6-12-21)27-17-15-26(16-18-27)19-20-9-3-1-4-10-20/h1-14,24-25H,15-19H2