1-(1,3-benzodioxol-5-ylmethyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonyl-piperazine

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonyl-piperazine Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonyl-piperazine CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[4-(1-pyrrolidinylsulfonyl)phenyl]sulfonylpiperazine IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperazine Traditional Name: 1-piperonyl-4-(4-pyrrolidinosulfonylphenyl)sulfonyl-piperazine Formula: C22H27N3O6S2 MolecularWeight: 493.59628

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C22H27N3O6S2/c26-32(27,24-9-1-2-10-24)19-4-6-20(7-5-19)33(28,29)25-13-11-23(12-14-25)16-18-3-8-21-22(15-18)31-17-30-21/h3-8,15H,1-2,9-14,16-17H2