7-methoxy-4-[[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]chromen-2-one

Systemtic Name: 7-methoxy-4-[[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]chromen-2-one Openeye Name: 4-[[4-(4-isopropylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-7-methoxy-chromen-2-one CAS Name: 7-methoxy-4-[[4-(4-propan-2-ylphenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-1-benzopyran-2-one IUPAC Name: 7-methoxy-4-[[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]chromen-2-one Traditional Name: 7-methoxy-4-[(4-p-cumenylsulfonylpiperazin-1-ium-1-yl)methyl]coumarin Formula: C24H29N2O5S+ MolecularWeight: 457.56246

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=CC(=O)OC4=C3C=CC(=C4)OC

Isomeric SMILES

CC(C)C1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=CC(=O)OC4=C3C=CC(=C4)OC

InChI

InChI=1S/C24H28N2O5S/c1-17(2)18-4-7-21(8-5-18)32(28,29)26-12-10-25(11-13-26)16-19-14-24(27)31-23-15-20(30-3)6-9-22(19)23/h4-9,14-15,17H,10-13,16H2,1-3H3/p+1