[4-(furan-2-ylcarbonyl)piperazin-1-yl]-[4-(2-methyl-5-nitro-phenyl)sulfonyliminocyclohexa-2,5-dien-1-ylidene]methanolate

Systemtic Name: [4-(furan-2-ylcarbonyl)piperazin-1-yl]-[4-(2-methyl-5-nitro-phenyl)sulfonyliminocyclohexa-2,5-dien-1-ylidene]methanolate Openeye Name: [4-(furan-2-carbonyl)piperazin-1-yl]-[4-(2-methyl-5-nitro-phenyl)sulfonyliminocyclohexa-2,5-dien-1-ylidene]methanolate CAS Name: [4-[2-furanyl(oxo)methyl]-1-piperazinyl]-[4-(2-methyl-5-nitrophenyl)sulfonylimino-1-cyclohexa-2,5-dienylidene]methanolate IUPAC Name: [4-(furan-2-carbonyl)piperazin-1-yl]-[4-(2-methyl-5-nitrophenyl)sulfonyliminocyclohexa-2,5-dien-1-ylidene]methanolate Traditional Name: [4-(2-furoyl)piperazino]-[4-(2-methyl-5-nitro-phenyl)sulfonyliminocyclohexa-2,5-dien-1-ylidene]methanolate Formula: C23H21N4O7S- MolecularWeight: 497.50044

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N=C2C=CC(=C(N3CCN(CC3)C(=O)C4=CC=CO4)[O-])C=C2

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N=C2C=CC(=C(N3CCN(CC3)C(=O)C4=CC=CO4)[O-])C=C2

InChI

InChI=1S/C23H22N4O7S/c1-16-4-9-19(27(30)31)15-21(16)35(32,33)24-18-7-5-17(6-8-18)22(28)25-10-12-26(13-11-25)23(29)20-3-2-14-34-20/h2-9,14-15,28H,10-13H2,1H3/p-1