[6-(4-methoxycarbonyl-2,5-dimethyl-furan-3-yl)sulfonylimino-5-methyl-cyclohexa-2,4-dien-1-ylidene]-(4-oxidanylpiperidin-1-yl)methanolate

Systemtic Name: [6-(4-methoxycarbonyl-2,5-dimethyl-furan-3-yl)sulfonylimino-5-methyl-cyclohexa-2,4-dien-1-ylidene]-(4-oxidanylpiperidin-1-yl)methanolate Openeye Name: (4-hydroxy-1-piperidyl)-[6-[(4-methoxycarbonyl-2,5-dimethyl-3-furyl)sulfonylimino]-5-methyl-cyclohexa-2,4-dien-1-ylidene]methanolate CAS Name: (4-hydroxy-1-piperidinyl)-[6-[(4-methoxycarbonyl-2,5-dimethyl-3-furanyl)sulfonylimino]-5-methyl-1-cyclohexa-2,4-dienylidene]methanolate IUPAC Name: (4-hydroxypiperidin-1-yl)-[6-(4-methoxycarbonyl-2,5-dimethylfuran-3-yl)sulfonylimino-5-methylcyclohexa-2,4-dien-1-ylidene]methanolate Traditional Name: [6-[(4-carbomethoxy-2,5-dimethyl-3-furyl)sulfonylimino]-5-methyl-cyclohexa-2,4-dien-1-ylidene]-(4-hydroxypiperidino)methanolate Formula: C21H25N2O7S- MolecularWeight: 449.4974

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C(N2CCC(CC2)O)[O-])C1=NS(=O)(=O)C3=C(OC(=C3C(=O)OC)C)C

Isomeric SMILES

CC1=CC=CC(=C(N2CCC(CC2)O)[O-])C1=NS(=O)(=O)C3=C(OC(=C3C(=O)OC)C)C

InChI

InChI=1S/C21H26N2O7S/c1-12-6-5-7-16(20(25)23-10-8-15(24)9-11-23)18(12)22-31(27,28)19-14(3)30-13(2)17(19)21(26)29-4/h5-7,15,24-25H,8-11H2,1-4H3/p-1