[2-(1,3-benzodioxol-5-yl)quinolin-4-yl]-(4-methylsulfonylpiperazin-1-yl)methanone

Systemtic Name: [2-(1,3-benzodioxol-5-yl)quinolin-4-yl]-(4-methylsulfonylpiperazin-1-yl)methanone Openeye Name: [2-(1,3-benzodioxol-5-yl)-4-quinolyl]-(4-methylsulfonylpiperazin-1-yl)methanone CAS Name: [2-(1,3-benzodioxol-5-yl)-4-quinolinyl]-(4-methylsulfonyl-1-piperazinyl)methanone IUPAC Name: [2-(1,3-benzodioxol-5-yl)quinolin-4-yl]-(4-methylsulfonylpiperazin-1-yl)methanone Traditional Name: [2-(1,3-benzodioxol-5-yl)-4-quinolyl]-(4-mesylpiperazino)methanone Formula: C22H21N3O5S MolecularWeight: 439.48424

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCN(CC1)C(=O)C2=CC(=NC3=CC=CC=C32)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

CS(=O)(=O)N1CCN(CC1)C(=O)C2=CC(=NC3=CC=CC=C32)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C22H21N3O5S/c1-31(27,28)25-10-8-24(9-11-25)22(26)17-13-19(23-18-5-3-2-4-16(17)18)15-6-7-20-21(12-15)30-14-29-20/h2-7,12-13H,8-11,14H2,1H3