(E)-but-2-enedioic acid; 6-(5-cyano-2-oxidanylidene-1,3-dihydroindol-3-yl)-N-(2-dimethylaminoethyl)-N-ethyl-pyridine-3-sulfonamide

Systemtic Name: (E)-but-2-enedioic acid; 6-(5-cyano-2-oxidanylidene-1,3-dihydroindol-3-yl)-N-(2-dimethylaminoethyl)-N-ethyl-pyridine-3-sulfonamide Openeye Name: 6-(5-cyano-2-oxo-indolin-3-yl)-N-(2-dimethylaminoethyl)-N-ethyl-pyridine-3-sulfonamide; fumaric acid CAS Name: (E)-2-butenedioic acid; 6-(5-cyano-2-oxo-1,3-dihydroindol-3-yl)-N-(2-dimethylaminoethyl)-N-ethyl-3-pyridinesulfonamide IUPAC Name: (E)-but-2-enedioic acid; 6-(5-cyano-2-oxo-1,3-dihydroindol-3-yl)-N-(2-dimethylaminoethyl)-N-ethylpyridine-3-sulfonamide Traditional Name: 6-(5-cyano-2-keto-indolin-3-yl)-N-(2-dimethylaminoethyl)-N-ethyl-pyridine-3-sulfonamide; fumaric acid Formula: C24H27N5O7S MolecularWeight: 529.56548

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCN(C)C)S(=O)(=O)C1=CN=C(C=C1)C2C3=C(C=CC(=C3)C#N)NC2=O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCN(CCN(C)C)S(=O)(=O)C1=CN=C(C=C1)C2C3=C(C=CC(=C3)C#N)NC2=O.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C20H23N5O3S.C4H4O4/c1-4-25(10-9-24(2)3)29(27,28)15-6-8-18(22-13-15)19-16-11-14(12-21)5-7-17(16)23-20(19)26;5-3(6)1-2-4(7)8/h5-8,11,13,19H,4,9-10H2,1-3H3,(H,23,26);1-2H,(H,5,6)(H,7,8)/b;2-1+