(E)-[4-(dimethylsulfamoyl)phenyl]-[2-(5-methylfuran-2-yl)-1-(3-morpholin-4-ium-4-ylpropyl)-4,5-bis(oxidanylidene)pyrrolidin-3-ylidene]methanolate

Systemtic Name: (E)-[4-(dimethylsulfamoyl)phenyl]-[2-(5-methylfuran-2-yl)-1-(3-morpholin-4-ium-4-ylpropyl)-4,5-bis(oxidanylidene)pyrrolidin-3-ylidene]methanolate Openeye Name: (E)-[4-(dimethylsulfamoyl)phenyl]-[2-(5-methyl-2-furyl)-1-(3-morpholin-4-ium-4-ylpropyl)-4,5-dioxo-pyrrolidin-3-ylidene]methanolate CAS Name: (E)-[4-(dimethylsulfamoyl)phenyl]-[2-(5-methyl-2-furanyl)-1-[3-(4-morpholin-4-iumyl)propyl]-4,5-dioxo-3-pyrrolidinylidene]methanolate IUPAC Name: (E)-[4-(dimethylsulfamoyl)phenyl]-[2-(5-methylfuran-2-yl)-1-(3-morpholin-4-ium-4-ylpropyl)-4,5-dioxopyrrolidin-3-ylidene]methanolate Traditional Name: (E)-[4,5-diketo-2-(5-methyl-2-furyl)-1-(3-morpholin-4-ium-4-ylpropyl)pyrrolidin-3-ylidene]-[4-(dimethylsulfamoyl)phenyl]methanolate Formula: C25H31N3O7S MolecularWeight: 517.59454

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C2C(=C(C3=CC=C(C=C3)S(=O)(=O)N(C)C)[O-])C(=O)C(=O)N2CCC[NH+]4CCOCC4

Isomeric SMILES

CC1=CC=C(O1)C2/C(=C(/C3=CC=C(C=C3)S(=O)(=O)N(C)C)\[O-])/C(=O)C(=O)N2CCC[NH+]4CCOCC4

InChI

InChI=1S/C25H31N3O7S/c1-17-5-10-20(35-17)22-21(23(29)18-6-8-19(9-7-18)36(32,33)26(2)3)24(30)25(31)28(22)12-4-11-27-13-15-34-16-14-27/h5-10,22,29H,4,11-16H2,1-3H3/b23-21+