[2-(5-methylfuran-2-yl)quinolin-4-yl]-(4-methylsulfonylpiperazin-1-yl)methanone

Systemtic Name: [2-(5-methylfuran-2-yl)quinolin-4-yl]-(4-methylsulfonylpiperazin-1-yl)methanone Openeye Name: [2-(5-methyl-2-furyl)-4-quinolyl]-(4-methylsulfonylpiperazin-1-yl)methanone CAS Name: [2-(5-methyl-2-furanyl)-4-quinolinyl]-(4-methylsulfonyl-1-piperazinyl)methanone IUPAC Name: [2-(5-methylfuran-2-yl)quinolin-4-yl]-(4-methylsulfonylpiperazin-1-yl)methanone Traditional Name: (4-mesylpiperazino)-[2-(5-methyl-2-furyl)-4-quinolyl]methanone Formula: C20H21N3O4S MolecularWeight: 399.46344

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C2=NC3=CC=CC=C3C(=C2)C(=O)N4CCN(CC4)S(=O)(=O)C

Isomeric SMILES

CC1=CC=C(O1)C2=NC3=CC=CC=C3C(=C2)C(=O)N4CCN(CC4)S(=O)(=O)C

InChI

InChI=1S/C20H21N3O4S/c1-14-7-8-19(27-14)18-13-16(15-5-3-4-6-17(15)21-18)20(24)22-9-11-23(12-10-22)28(2,25)26/h3-8,13H,9-12H2,1-2H3