1,3-benzodioxol-5-yl-[4-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)piperazin-1-yl]methanone

Systemtic Name: 1,3-benzodioxol-5-yl-[4-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)piperazin-1-yl]methanone Openeye Name: 1,3-benzodioxol-5-yl-[4-(5-pyrrolidin-1-ylsulfonyl-2-pyridyl)piperazin-1-yl]methanone CAS Name: 1,3-benzodioxol-5-yl-[4-[5-(1-pyrrolidinylsulfonyl)-2-pyridinyl]-1-piperazinyl]methanone IUPAC Name: 1,3-benzodioxol-5-yl-[4-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)piperazin-1-yl]methanone Traditional Name: 1,3-benzodioxol-5-yl-[4-(5-pyrrolidinosulfonyl-2-pyridyl)piperazino]methanone Formula: C21H24N4O5S MolecularWeight: 444.50406

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4O5S/c26-21(16-3-5-18-19(13-16)30-15-29-18)24-11-9-23(10-12-24)20-6-4-17(14-22-20)31(27,28)25-7-1-2-8-25/h3-6,13-14H,1-2,7-12,15H2