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

Systemtic Name: 6-chloranyl-7-methyl-4-[[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]chromen-2-one Openeye Name: 6-chloro-7-methyl-4-[[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]chromen-2-one CAS Name: 6-chloro-7-methyl-4-[[4-(2,4,6-trimethylphenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-1-benzopyran-2-one IUPAC Name: 6-chloro-7-methyl-4-[[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]chromen-2-one Traditional Name: 6-chloro-4-[(4-mesitylsulfonylpiperazin-1-ium-1-yl)methyl]-7-methyl-coumarin Formula: C24H28ClN2O4S+ MolecularWeight: 476.00812

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CC[NH+](CC2)CC3=CC(=O)OC4=CC(=C(C=C34)Cl)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CC[NH+](CC2)CC3=CC(=O)OC4=CC(=C(C=C34)Cl)C)C

InChI

InChI=1S/C24H27ClN2O4S/c1-15-9-17(3)24(18(4)10-15)32(29,30)27-7-5-26(6-8-27)14-19-12-23(28)31-22-11-16(2)21(25)13-20(19)22/h9-13H,5-8,14H2,1-4H3/p+1