methyl 5-[4-(diphenylmethyl)piperazin-4-ium-1-yl]sulfonyl-2-methyl-furan-3-carboxylate

Systemtic Name: methyl 5-[4-(diphenylmethyl)piperazin-4-ium-1-yl]sulfonyl-2-methyl-furan-3-carboxylate Openeye Name: methyl 5-(4-benzhydrylpiperazin-4-ium-1-yl)sulfonyl-2-methyl-furan-3-carboxylate CAS Name: 5-[[4-(diphenylmethyl)-1-piperazin-4-iumyl]sulfonyl]-2-methyl-3-furancarboxylic acid methyl ester IUPAC Name: methyl 5-(4-benzhydrylpiperazin-4-ium-1-yl)sulfonyl-2-methylfuran-3-carboxylate Traditional Name: 5-(4-benzhydrylpiperazin-4-ium-1-yl)sulfonyl-2-methyl-furan-3-carboxylic acid methyl ester Formula: C24H27N2O5S+ MolecularWeight: 455.54658

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(O1)S(=O)(=O)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)OC

Isomeric SMILES

CC1=C(C=C(O1)S(=O)(=O)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)OC

InChI

InChI=1S/C24H26N2O5S/c1-18-21(24(27)30-2)17-22(31-18)32(28,29)26-15-13-25(14-16-26)23(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-12,17,23H,13-16H2,1-2H3/p+1