4-[[4-(2-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-7-methyl-chromen-2-one

Systemtic Name: 4-[[4-(2-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-7-methyl-chromen-2-one Openeye Name: 4-[[4-(2-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-7-methyl-chromen-2-one CAS Name: 4-[[4-(2-fluorophenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-7-methyl-1-benzopyran-2-one IUPAC Name: 4-[[4-(2-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-7-methylchromen-2-one Traditional Name: 4-[[4-(2-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-7-methyl-coumarin Formula: C21H22FN2O4S+ MolecularWeight: 417.473783

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CC(=O)O2)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CC=C4F

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CC(=O)O2)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CC=C4F

InChI

InChI=1S/C21H21FN2O4S/c1-15-6-7-17-16(13-21(25)28-19(17)12-15)14-23-8-10-24(11-9-23)29(26,27)20-5-3-2-4-18(20)22/h2-7,12-13H,8-11,14H2,1H3/p+1