6-ethyl-4-methyl-8-[[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-7-oxidanyl-chromen-2-one

Systemtic Name: 6-ethyl-4-methyl-8-[[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-7-oxidanyl-chromen-2-one Openeye Name: 6-ethyl-7-hydroxy-4-methyl-8-[[4-(p-tolylsulfonyl)piperazin-1-ium-1-yl]methyl]chromen-2-one CAS Name: 6-ethyl-7-hydroxy-4-methyl-8-[[4-(4-methylphenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-1-benzopyran-2-one IUPAC Name: 6-ethyl-7-hydroxy-4-methyl-8-[[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]chromen-2-one Traditional Name: 6-ethyl-7-hydroxy-4-methyl-8-[(4-tosylpiperazin-1-ium-1-yl)methyl]coumarin Formula: C24H29N2O5S+ MolecularWeight: 457.56246

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C2C(=C1)C(=CC(=O)O2)C)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C)O

Isomeric SMILES

CCC1=C(C(=C2C(=C1)C(=CC(=O)O2)C)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C)O

InChI

InChI=1S/C24H28N2O5S/c1-4-18-14-20-17(3)13-22(27)31-24(20)21(23(18)28)15-25-9-11-26(12-10-25)32(29,30)19-7-5-16(2)6-8-19/h5-8,13-14,28H,4,9-12,15H2,1-3H3/p+1