[4-[6-(4-methylsulfonylphenyl)-4H-1,3-benzodioxin-2-yl]piperidin-1-yl]-(1H-pyrrol-2-yl)methanone

Systemtic Name: [4-[6-(4-methylsulfonylphenyl)-4H-1,3-benzodioxin-2-yl]piperidin-1-yl]-(1H-pyrrol-2-yl)methanone Openeye Name: [4-[6-(4-methylsulfonylphenyl)-4H-1,3-benzodioxin-2-yl]-1-piperidyl]-(1H-pyrrol-2-yl)methanone CAS Name: [4-[6-(4-methylsulfonylphenyl)-4H-1,3-benzodioxin-2-yl]-1-piperidinyl]-(1H-pyrrol-2-yl)methanone IUPAC Name: [4-[6-(4-methylsulfonylphenyl)-4H-1,3-benzodioxin-2-yl]piperidin-1-yl]-(1H-pyrrol-2-yl)methanone Traditional Name: [4-[6-(4-mesylphenyl)-4H-1,3-benzodioxin-2-yl]piperidino]-(1H-pyrrol-2-yl)methanone Formula: C25H26N2O5S MolecularWeight: 466.54934

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C2=CC3=C(C=C2)OC(OC3)C4CCN(CC4)C(=O)C5=CC=CN5

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C2=CC3=C(C=C2)OC(OC3)C4CCN(CC4)C(=O)C5=CC=CN5

InChI

InChI=1S/C25H26N2O5S/c1-33(29,30)21-7-4-17(5-8-21)19-6-9-23-20(15-19)16-31-25(32-23)18-10-13-27(14-11-18)24(28)22-3-2-12-26-22/h2-9,12,15,18,25-26H,10-11,13-14,16H2,1H3