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

Systemtic Name: (E)-but-2-enedioic acid; 6-(5-cyano-2-oxidanylidene-1,3-dihydroindol-3-yl)-N-(2-dimethylaminoethyl)pyridine-3-sulfonamide Openeye Name: 6-(5-cyano-2-oxo-indolin-3-yl)-N-(2-dimethylaminoethyl)pyridine-3-sulfonamide; fumaric acid CAS Name: (E)-2-butenedioic acid; 6-(5-cyano-2-oxo-1,3-dihydroindol-3-yl)-N-(2-dimethylaminoethyl)-3-pyridinesulfonamide IUPAC Name: (E)-but-2-enedioic acid; 6-(5-cyano-2-oxo-1,3-dihydroindol-3-yl)-N-(2-dimethylaminoethyl)pyridine-3-sulfonamide Traditional Name: 6-(5-cyano-2-keto-indolin-3-yl)-N-(2-dimethylaminoethyl)pyridine-3-sulfonamide; fumaric acid Formula: C22H23N5O7S MolecularWeight: 501.51232

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCNS(=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

CN(C)CCNS(=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/C18H19N5O3S.C4H4O4/c1-23(2)8-7-21-27(25,26)13-4-6-16(20-11-13)17-14-9-12(10-19)3-5-15(14)22-18(17)24;5-3(6)1-2-4(7)8/h3-6,9,11,17,21H,7-8H2,1-2H3,(H,22,24);1-2H,(H,5,6)(H,7,8)/b;2-1+