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

Systemtic Name: 7-methyl-4-[[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-6-propan-2-yl-chromen-2-one Openeye Name: 6-isopropyl-7-methyl-4-[[4-(p-tolylsulfonyl)piperazin-1-ium-1-yl]methyl]chromen-2-one CAS Name: 7-methyl-4-[[4-(4-methylphenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-6-propan-2-yl-1-benzopyran-2-one IUPAC Name: 7-methyl-4-[[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-6-propan-2-ylchromen-2-one Traditional Name: 6-isopropyl-7-methyl-4-[(4-tosylpiperazin-1-ium-1-yl)methyl]coumarin Formula: C25H31N2O4S+ MolecularWeight: 455.58964

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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)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)C)C

InChI

InChI=1S/C25H30N2O4S/c1-17(2)22-15-23-20(14-25(28)31-24(23)13-19(22)4)16-26-9-11-27(12-10-26)32(29,30)21-7-5-18(3)6-8-21/h5-8,13-15,17H,9-12,16H2,1-4H3/p+1