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

Systemtic Name: [6-(2,3-dimethyl-5-nitro-phenyl)sulfonylimino-5-methyl-cyclohexa-2,4-dien-1-ylidene]-(4-oxidanylpiperidin-1-yl)methanolate Openeye Name: [6-(2,3-dimethyl-5-nitro-phenyl)sulfonylimino-5-methyl-cyclohexa-2,4-dien-1-ylidene]-(4-hydroxy-1-piperidyl)methanolate CAS Name: [6-(2,3-dimethyl-5-nitrophenyl)sulfonylimino-5-methyl-1-cyclohexa-2,4-dienylidene]-(4-hydroxy-1-piperidinyl)methanolate IUPAC Name: [6-(2,3-dimethyl-5-nitrophenyl)sulfonylimino-5-methylcyclohexa-2,4-dien-1-ylidene]-(4-hydroxypiperidin-1-yl)methanolate Traditional Name: [6-(2,3-dimethyl-5-nitro-phenyl)sulfonylimino-5-methyl-cyclohexa-2,4-dien-1-ylidene]-(4-hydroxypiperidino)methanolate Formula: C21H24N3O6S- MolecularWeight: 446.49676

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C(N2CCC(CC2)O)[O-])C1=NS(=O)(=O)C3=C(C(=CC(=C3)[N+](=O)[O-])C)C

Isomeric SMILES

CC1=CC=CC(=C(N2CCC(CC2)O)[O-])C1=NS(=O)(=O)C3=C(C(=CC(=C3)[N+](=O)[O-])C)C

InChI

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