[(3,5-ditert-butyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)amino] 4-(methoxycarbonylamino)benzenesulfonate

Systemtic Name: [(3,5-ditert-butyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)amino] 4-(methoxycarbonylamino)benzenesulfonate Openeye Name: [(3,5-ditert-butyl-4-oxo-cyclohexa-2,5-dien-1-ylidene)amino] 4-(methoxycarbonylamino)benzenesulfonate CAS Name: 4-(methoxycarbonylamino)benzenesulfonic acid [(3,5-ditert-butyl-4-oxo-1-cyclohexa-2,5-dienylidene)amino] ester IUPAC Name: [(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)amino] 4-(methoxycarbonylamino)benzenesulfonate Traditional Name: 4-(carbomethoxyamino)benzenesulfonic acid [(3,5-ditert-butyl-4-keto-cyclohexa-2,5-dien-1-ylidene)amino] ester Formula: C22H28N2O6S MolecularWeight: 448.53252

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=NOS(=O)(=O)C2=CC=C(C=C2)NC(=O)OC)C=C(C1=O)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=NOS(=O)(=O)C2=CC=C(C=C2)NC(=O)OC)C=C(C1=O)C(C)(C)C

InChI

InChI=1S/C22H28N2O6S/c1-21(2,3)17-12-15(13-18(19(17)25)22(4,5)6)24-30-31(27,28)16-10-8-14(9-11-16)23-20(26)29-7/h8-13H,1-7H3,(H,23,26)