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

Systemtic Name: 6-chloranyl-7-ethyl-4-[[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]chromen-2-one Openeye Name: 6-chloro-7-ethyl-4-[[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]chromen-2-one CAS Name: 6-chloro-7-ethyl-4-[[4-(4-fluorophenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-1-benzopyran-2-one IUPAC Name: 6-chloro-7-ethyl-4-[[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]chromen-2-one Traditional Name: 6-chloro-7-ethyl-4-[[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]coumarin Formula: C22H23ClFN2O4S+ MolecularWeight: 465.945423

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=CC(=O)OC2=C1)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)F)Cl

Isomeric SMILES

CCC1=C(C=C2C(=CC(=O)OC2=C1)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)F)Cl

InChI

InChI=1S/C22H22ClFN2O4S/c1-2-15-11-21-19(13-20(15)23)16(12-22(27)30-21)14-25-7-9-26(10-8-25)31(28,29)18-5-3-17(24)4-6-18/h3-6,11-13H,2,7-10,14H2,1H3/p+1