methyl 2-methyl-5-[(E)-3-[[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]amino]-3-oxidanylidene-prop-1-enyl]furan-3-carboxylate

Systemtic Name: methyl 2-methyl-5-[(E)-3-[[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]amino]-3-oxidanylidene-prop-1-enyl]furan-3-carboxylate Openeye Name: methyl 2-methyl-5-[(E)-3-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylanilino]-3-oxo-prop-1-enyl]furan-3-carboxylate CAS Name: 2-methyl-5-[(E)-3-[4-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]anilino]-3-oxoprop-1-enyl]-3-furancarboxylic acid methyl ester IUPAC Name: methyl 2-methyl-5-[(E)-3-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylanilino]-3-oxoprop-1-enyl]furan-3-carboxylate Traditional Name: 5-[(E)-3-keto-3-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylanilino]prop-1-enyl]-2-methyl-furan-3-carboxylic acid methyl ester Formula: C21H26N3O6S+ MolecularWeight: 448.51264

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(O1)C=CC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)C)C(=O)OC

Isomeric SMILES

CC1=C(C=C(O1)/C=C/C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)C)C(=O)OC

InChI

InChI=1S/C21H25N3O6S/c1-15-19(21(26)29-3)14-17(30-15)6-9-20(25)22-16-4-7-18(8-5-16)31(27,28)24-12-10-23(2)11-13-24/h4-9,14H,10-13H2,1-3H3,(H,22,25)/p+1/b9-6+