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

Systemtic Name: 6,7-dimethyl-4-[[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]chromen-2-one Openeye Name: 6,7-dimethyl-4-[[4-(p-tolylsulfonyl)piperazin-1-ium-1-yl]methyl]chromen-2-one CAS Name: 6,7-dimethyl-4-[[4-(4-methylphenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-1-benzopyran-2-one IUPAC Name: 6,7-dimethyl-4-[[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]chromen-2-one Traditional Name: 6,7-dimethyl-4-[(4-tosylpiperazin-1-ium-1-yl)methyl]coumarin Formula: C23H27N2O4S+ MolecularWeight: 427.53648

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26N2O4S/c1-16-4-6-20(7-5-16)30(27,28)25-10-8-24(9-11-25)15-19-14-23(26)29-22-13-18(3)17(2)12-21(19)22/h4-7,12-14H,8-11,15H2,1-3H3/p+1