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

Systemtic Name: 4-[[4-(4-tert-butylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-7-methoxy-chromen-2-one Openeye Name: 4-[[4-(4-tert-butylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-7-methoxy-chromen-2-one CAS Name: 4-[[4-(4-tert-butylphenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-7-methoxy-1-benzopyran-2-one IUPAC Name: 4-[[4-(4-tert-butylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-7-methoxychromen-2-one Traditional Name: 4-[[4-(4-tert-butylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-7-methoxy-coumarin Formula: C25H31N2O5S+ MolecularWeight: 471.58904

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H30N2O5S/c1-25(2,3)19-5-8-21(9-6-19)33(29,30)27-13-11-26(12-14-27)17-18-15-24(28)32-23-16-20(31-4)7-10-22(18)23/h5-10,15-16H,11-14,17H2,1-4H3/p+1