methyl 5-[[(5S)-1,3-bis(phenylmethyl)-1,3-diazinan-1-ium-5-yl]methylsulfamoyl]-2-methyl-furan-3-carboxylate

Systemtic Name: methyl 5-[[(5S)-1,3-bis(phenylmethyl)-1,3-diazinan-1-ium-5-yl]methylsulfamoyl]-2-methyl-furan-3-carboxylate Openeye Name: methyl 5-[[(5S)-1,3-dibenzylhexahydropyrimidin-1-ium-5-yl]methylsulfamoyl]-2-methyl-furan-3-carboxylate CAS Name: 5-[[(5S)-1,3-bis(phenylmethyl)-1,3-diazinan-1-ium-5-yl]methylsulfamoyl]-2-methyl-3-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[(5S)-1,3-dibenzyl-1,3-diazinan-1-ium-5-yl]methylsulfamoyl]-2-methylfuran-3-carboxylate Traditional Name: 5-[[(5S)-1,3-dibenzylhexahydropyrimidin-1-ium-5-yl]methylsulfamoyl]-2-methyl-furan-3-carboxylic acid methyl ester Formula: C26H32N3O5S+ MolecularWeight: 498.61438

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(O1)S(=O)(=O)NCC2C[NH+](CN(C2)CC3=CC=CC=C3)CC4=CC=CC=C4)C(=O)OC

Isomeric SMILES

CC1=C(C=C(O1)S(=O)(=O)NC[C@@H]2C[NH+](CN(C2)CC3=CC=CC=C3)CC4=CC=CC=C4)C(=O)OC

InChI

InChI=1S/C26H31N3O5S/c1-20-24(26(30)33-2)13-25(34-20)35(31,32)27-14-23-17-28(15-21-9-5-3-6-10-21)19-29(18-23)16-22-11-7-4-8-12-22/h3-13,23,27H,14-19H2,1-2H3/p+1