4-[[4-(4-tert-butylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-7,8-dimethyl-chromen-2-one

Systemtic Name: 4-[[4-(4-tert-butylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-7,8-dimethyl-chromen-2-one Openeye Name: 4-[[4-(4-tert-butylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-7,8-dimethyl-chromen-2-one CAS Name: 4-[[4-(4-tert-butylphenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-7,8-dimethyl-1-benzopyran-2-one IUPAC Name: 4-[[4-(4-tert-butylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-7,8-dimethylchromen-2-one Traditional Name: 4-[[4-(4-tert-butylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-7,8-dimethyl-coumarin Formula: C26H33N2O4S+ MolecularWeight: 469.61622

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=O)O2)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C(C)(C)C)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C(C)(C)C)C

InChI

InChI=1S/C26H32N2O4S/c1-18-6-11-23-20(16-24(29)32-25(23)19(18)2)17-27-12-14-28(15-13-27)33(30,31)22-9-7-21(8-10-22)26(3,4)5/h6-11,16H,12-15,17H2,1-5H3/p+1