[4-(4-methyl-3-nitro-phenyl)sulfonyliminocyclohexa-2,5-dien-1-ylidene]-[(2S)-2-methylpiperidin-1-yl]methanolate

Systemtic Name: [4-(4-methyl-3-nitro-phenyl)sulfonyliminocyclohexa-2,5-dien-1-ylidene]-[(2S)-2-methylpiperidin-1-yl]methanolate Openeye Name: [4-(4-methyl-3-nitro-phenyl)sulfonyliminocyclohexa-2,5-dien-1-ylidene]-[(2S)-2-methyl-1-piperidyl]methanolate CAS Name: [4-(4-methyl-3-nitrophenyl)sulfonylimino-1-cyclohexa-2,5-dienylidene]-[(2S)-2-methyl-1-piperidinyl]methanolate IUPAC Name: [4-(4-methyl-3-nitrophenyl)sulfonyliminocyclohexa-2,5-dien-1-ylidene]-[(2S)-2-methylpiperidin-1-yl]methanolate Traditional Name: [4-(4-methyl-3-nitro-phenyl)sulfonyliminocyclohexa-2,5-dien-1-ylidene]-[(2S)-2-methylpiperidino]methanolate Formula: C20H22N3O5S- MolecularWeight: 416.47078

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1C(=C2C=CC(=NS(=O)(=O)C3=CC(=C(C=C3)C)[N+](=O)[O-])C=C2)[O-]

Isomeric SMILES

C[C@H]1CCCCN1C(=C2C=CC(=NS(=O)(=O)C3=CC(=C(C=C3)C)[N+](=O)[O-])C=C2)[O-]

InChI

InChI=1S/C20H23N3O5S/c1-14-6-11-18(13-19(14)23(25)26)29(27,28)21-17-9-7-16(8-10-17)20(24)22-12-4-3-5-15(22)2/h6-11,13,15,24H,3-5,12H2,1-2H3/p-1/t15-/m0/s1