7-methyl-6-propan-2-yl-4-[[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]chromen-2-one

Systemtic Name: 7-methyl-6-propan-2-yl-4-[[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]chromen-2-one Openeye Name: 6-isopropyl-7-methyl-4-[[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]chromen-2-one CAS Name: 7-methyl-6-propan-2-yl-4-[[4-(2,3,5,6-tetramethylphenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-1-benzopyran-2-one IUPAC Name: 7-methyl-6-propan-2-yl-4-[[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]chromen-2-one Traditional Name: 6-isopropyl-7-methyl-4-[[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]coumarin Formula: C28H37N2O4S+ MolecularWeight: 497.66938

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C)S(=O)(=O)N2CC[NH+](CC2)CC3=CC(=O)OC4=CC(=C(C=C34)C(C)C)C)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1C)S(=O)(=O)N2CC[NH+](CC2)CC3=CC(=O)OC4=CC(=C(C=C34)C(C)C)C)C)C

InChI

InChI=1S/C28H36N2O4S/c1-17(2)24-15-25-23(14-27(31)34-26(25)13-20(24)5)16-29-8-10-30(11-9-29)35(32,33)28-21(6)18(3)12-19(4)22(28)7/h12-15,17H,8-11,16H2,1-7H3/p+1