[6-[3,5-bis(methoxycarbonyl)phenyl]sulfonyliminocyclohexa-2,4-dien-1-ylidene]-morpholin-4-yl-methanolate

Systemtic Name: [6-[3,5-bis(methoxycarbonyl)phenyl]sulfonyliminocyclohexa-2,4-dien-1-ylidene]-morpholin-4-yl-methanolate Openeye Name: [6-[3,5-bis(methoxycarbonyl)phenyl]sulfonyliminocyclohexa-2,4-dien-1-ylidene]-morpholino-methanolate CAS Name: [6-[3,5-bis(methoxycarbonyl)phenyl]sulfonylimino-1-cyclohexa-2,4-dienylidene]-(4-morpholinyl)methanolate IUPAC Name: [6-[3,5-bis(methoxycarbonyl)phenyl]sulfonyliminocyclohexa-2,4-dien-1-ylidene]-morpholin-4-ylmethanolate Traditional Name: [6-(3,5-dicarbomethoxyphenyl)sulfonyliminocyclohexa-2,4-dien-1-ylidene]-morpholino-methanolate Formula: C21H21N2O8S- MolecularWeight: 461.46504

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)S(=O)(=O)N=C2C=CC=CC2=C(N3CCOCC3)[O-])C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)S(=O)(=O)N=C2C=CC=CC2=C(N3CCOCC3)[O-])C(=O)OC

InChI

InChI=1S/C21H22N2O8S/c1-29-20(25)14-11-15(21(26)30-2)13-16(12-14)32(27,28)22-18-6-4-3-5-17(18)19(24)23-7-9-31-10-8-23/h3-6,11-13,24H,7-10H2,1-2H3/p-1