2-acetamido-5-[(2E)-2-[3-(2-methylbutan-2-yl)-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene]hydrazinyl]benzenesulfonic acid

Systemtic Name: 2-acetamido-5-[(2E)-2-[3-(2-methylbutan-2-yl)-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene]hydrazinyl]benzenesulfonic acid Openeye Name: 2-acetamido-5-[(2E)-2-[3-(1,1-dimethylpropyl)-6-oxo-cyclohexa-2,4-dien-1-ylidene]hydrazino]benzenesulfonic acid CAS Name: 2-acetamido-5-[(2E)-2-[3-(2-methylbutan-2-yl)-6-oxo-1-cyclohexa-2,4-dienylidene]hydrazinyl]benzenesulfonic acid IUPAC Name: 2-acetamido-5-[(2E)-2-[3-(2-methylbutan-2-yl)-6-oxocyclohexa-2,4-dien-1-ylidene]hydrazinyl]benzenesulfonic acid Traditional Name: 2-acetamido-5-[(N'E)-N'-(3-tert-amyl-6-keto-cyclohexa-2,4-dien-1-ylidene)hydrazino]besylic acid Formula: C19H23N3O5S MolecularWeight: 405.46802

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1=CC(=NNC2=CC(=C(C=C2)NC(=O)C)S(=O)(=O)O)C(=O)C=C1

Isomeric SMILES

CCC(C)(C)C1=C/C(=N\NC2=CC(=C(C=C2)NC(=O)C)S(=O)(=O)O)/C(=O)C=C1

InChI

InChI=1S/C19H23N3O5S/c1-5-19(3,4)13-6-9-17(24)16(10-13)22-21-14-7-8-15(20-12(2)23)18(11-14)28(25,26)27/h6-11,21H,5H2,1-4H3,(H,20,23)(H,25,26,27)/b22-16+