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

Systemtic Name: [4-(2-methyl-5-nitro-phenyl)sulfonyliminocyclohexa-2,5-dien-1-ylidene]-piperidin-1-yl-methanolate Openeye Name: [4-(2-methyl-5-nitro-phenyl)sulfonyliminocyclohexa-2,5-dien-1-ylidene]-(1-piperidyl)methanolate CAS Name: [4-(2-methyl-5-nitrophenyl)sulfonylimino-1-cyclohexa-2,5-dienylidene]-(1-piperidinyl)methanolate IUPAC Name: [4-(2-methyl-5-nitrophenyl)sulfonyliminocyclohexa-2,5-dien-1-ylidene]-piperidin-1-ylmethanolate Traditional Name: [4-(2-methyl-5-nitro-phenyl)sulfonyliminocyclohexa-2,5-dien-1-ylidene]-piperidino-methanolate Formula: C19H20N3O5S- MolecularWeight: 402.4442

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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(N3CCCCC3)[O-])C=C2

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N=C2C=CC(=C(N3CCCCC3)[O-])C=C2

InChI

InChI=1S/C19H21N3O5S/c1-14-5-10-17(22(24)25)13-18(14)28(26,27)20-16-8-6-15(7-9-16)19(23)21-11-3-2-4-12-21/h5-10,13,23H,2-4,11-12H2,1H3/p-1