1-[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]sulfonylphenyl]pyrrolidin-2-one

Systemtic Name: 1-[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]sulfonylphenyl]pyrrolidin-2-one Openeye Name: 1-[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]sulfonylphenyl]pyrrolidin-2-one CAS Name: 1-[4-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]sulfonyl]phenyl]-2-pyrrolidinone IUPAC Name: 1-[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]sulfonylphenyl]pyrrolidin-2-one Traditional Name: 1-[4-(4-piperonylpiperazino)sulfonylphenyl]-2-pyrrolidone Formula: C22H25N3O5S MolecularWeight: 443.516

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1)C2=CC=C(C=C2)S(=O)(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CC(=O)N(C1)C2=CC=C(C=C2)S(=O)(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C22H25N3O5S/c26-22-2-1-9-25(22)18-4-6-19(7-5-18)31(27,28)24-12-10-23(11-13-24)15-17-3-8-20-21(14-17)30-16-29-20/h3-8,14H,1-2,9-13,15-16H2