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

Systemtic Name: 4-[[4-(4-tert-butylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-6-chloranyl-7-methyl-chromen-2-one Openeye Name: 4-[[4-(4-tert-butylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-6-chloro-7-methyl-chromen-2-one CAS Name: 4-[[4-(4-tert-butylphenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-6-chloro-7-methyl-1-benzopyran-2-one IUPAC Name: 4-[[4-(4-tert-butylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-6-chloro-7-methylchromen-2-one Traditional Name: 4-[[4-(4-tert-butylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-6-chloro-7-methyl-coumarin Formula: C25H30ClN2O4S+ MolecularWeight: 490.0347

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C(C)(C)C)Cl

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C(C)(C)C)Cl

InChI

InChI=1S/C25H29ClN2O4S/c1-17-13-23-21(15-22(17)26)18(14-24(29)32-23)16-27-9-11-28(12-10-27)33(30,31)20-7-5-19(6-8-20)25(2,3)4/h5-8,13-15H,9-12,16H2,1-4H3/p+1