5-(2,5-dimethylpiperazin-1-yl)sulfonyl-4-fluoranyl-isoquinoline

Systemtic Name: 5-(2,5-dimethylpiperazin-1-yl)sulfonyl-4-fluoranyl-isoquinoline Openeye Name: 5-(2,5-dimethylpiperazin-1-yl)sulfonyl-4-fluoro-isoquinoline CAS Name: 5-[(2,5-dimethyl-1-piperazinyl)sulfonyl]-4-fluoroisoquinoline IUPAC Name: 5-(2,5-dimethylpiperazin-1-yl)sulfonyl-4-fluoroisoquinoline Traditional Name: 5-(2,5-dimethylpiperazino)sulfonyl-4-fluoro-isoquinoline Formula: C15H18FN3O2S MolecularWeight: 323.385723

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Descriptors Computed from Structure

Canonical SMILES:

CC1CNC(CN1S(=O)(=O)C2=CC=CC3=CN=CC(=C32)F)C

Isomeric SMILES

CC1CNC(CN1S(=O)(=O)C2=CC=CC3=CN=CC(=C32)F)C

InChI

InChI=1S/C15H18FN3O2S/c1-10-9-19(11(2)6-18-10)22(20,21)14-5-3-4-12-7-17-8-13(16)15(12)14/h3-5,7-8,10-11,18H,6,9H2,1-2H3