methyl 2-methyl-5-[[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]furan-3-carboxylate

Systemtic Name: methyl 2-methyl-5-[[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]furan-3-carboxylate Openeye Name: methyl 5-[[4-(4-isopropylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-2-methyl-furan-3-carboxylate CAS Name: 2-methyl-5-[[4-(4-propan-2-ylphenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-3-furancarboxylic acid methyl ester IUPAC Name: methyl 2-methyl-5-[[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]furan-3-carboxylate Traditional Name: 2-methyl-5-[(4-p-cumenylsulfonylpiperazin-1-ium-1-yl)methyl]furan-3-carboxylic acid methyl ester Formula: C21H29N2O5S+ MolecularWeight: 421.53036

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(O1)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C(C)C)C(=O)OC

Isomeric SMILES

CC1=C(C=C(O1)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C(C)C)C(=O)OC

InChI

InChI=1S/C21H28N2O5S/c1-15(2)17-5-7-19(8-6-17)29(25,26)23-11-9-22(10-12-23)14-18-13-20(16(3)28-18)21(24)27-4/h5-8,13,15H,9-12,14H2,1-4H3/p+1