(7-fluoranyl-2-methyl-quinolin-3-yl)-[4-(phenylmethyl)sulfonylpiperazin-1-yl]methanone

Systemtic Name: (7-fluoranyl-2-methyl-quinolin-3-yl)-[4-(phenylmethyl)sulfonylpiperazin-1-yl]methanone Openeye Name: (4-benzylsulfonylpiperazin-1-yl)-(7-fluoro-2-methyl-3-quinolyl)methanone CAS Name: (7-fluoro-2-methyl-3-quinolinyl)-[4-(phenylmethyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: (4-benzylsulfonylpiperazin-1-yl)-(7-fluoro-2-methylquinolin-3-yl)methanone Traditional Name: (4-benzylsulfonylpiperazino)-(7-fluoro-2-methyl-3-quinolyl)methanone Formula: C22H22FN3O3S MolecularWeight: 427.491783

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C=CC(=CC2=N1)F)C(=O)N3CCN(CC3)S(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C=C2C=CC(=CC2=N1)F)C(=O)N3CCN(CC3)S(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C22H22FN3O3S/c1-16-20(13-18-7-8-19(23)14-21(18)24-16)22(27)25-9-11-26(12-10-25)30(28,29)15-17-5-3-2-4-6-17/h2-8,13-14H,9-12,15H2,1H3