[(Z)-(5,5-dimethyl-3-oxidanylidene-6H-pyrrolo[2,1-a]isoquinolin-2-ylidene)amino] 4-methylbenzenesulfonate

Systemtic Name: [(Z)-(5,5-dimethyl-3-oxidanylidene-6H-pyrrolo[2,1-a]isoquinolin-2-ylidene)amino] 4-methylbenzenesulfonate Openeye Name: [(Z)-(5,5-dimethyl-3-oxo-6H-pyrrolo[2,1-a]isoquinolin-2-ylidene)amino] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(Z)-(5,5-dimethyl-3-oxo-6H-pyrrolo[2,1-a]isoquinolin-2-ylidene)amino] ester IUPAC Name: [(Z)-(5,5-dimethyl-3-oxo-6H-pyrrolo[2,1-a]isoquinolin-2-ylidene)amino] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(Z)-(3-keto-5,5-dimethyl-6H-pyrrol[2,1-a]isoquinolin-2-ylidene)amino] ester Formula: C21H20N2O4S MolecularWeight: 396.4595

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)ON=C2C=C3C4=CC=CC=C4CC(N3C2=O)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O/N=C\2/C=C3C4=CC=CC=C4CC(N3C2=O)(C)C

InChI

InChI=1S/C21H20N2O4S/c1-14-8-10-16(11-9-14)28(25,26)27-22-18-12-19-17-7-5-4-6-15(17)13-21(2,3)23(19)20(18)24/h4-12H,13H2,1-3H3/b22-18-