ethane-1,2-disulfonic acid; (3Z)-3-[5-(morpholin-4-ylmethyl)-1H-pyridin-2-ylidene]-2-oxidanylidene-1H-indole-5-carbonitrile

Systemtic Name: ethane-1,2-disulfonic acid; (3Z)-3-[5-(morpholin-4-ylmethyl)-1H-pyridin-2-ylidene]-2-oxidanylidene-1H-indole-5-carbonitrile Openeye Name: ethane-1,2-disulfonic acid; (3Z)-3-[5-(morpholinomethyl)-1H-pyridin-2-ylidene]-2-oxo-indoline-5-carbonitrile CAS Name: ethane-1,2-disulfonic acid; (3Z)-3-[5-(4-morpholinylmethyl)-1H-pyridin-2-ylidene]-2-oxo-1H-indole-5-carbonitrile IUPAC Name: ethane-1,2-disulfonic acid; (3Z)-3-[5-(morpholin-4-ylmethyl)-1H-pyridin-2-ylidene]-2-oxo-1H-indole-5-carbonitrile Traditional Name: ethane-1,2-disulfonic acid; (3Z)-2-keto-3-[5-(morpholinomethyl)-1H-pyridin-2-ylidene]indoline-5-carbonitrile Formula: C21H24N4O8S2 MolecularWeight: 524.56726

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CC2=CNC(=C3C4=C(C=CC(=C4)C#N)NC3=O)C=C2.C(CS(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

C1COCCN1CC2=CN/C(=C\3/C4=C(C=CC(=C4)C#N)NC3=O)/C=C2.C(CS(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C19H18N4O2.C2H6O6S2/c20-10-13-1-3-16-15(9-13)18(19(24)22-16)17-4-2-14(11-21-17)12-23-5-7-25-8-6-23;3-9(4,5)1-2-10(6,7)8/h1-4,9,11,21H,5-8,12H2,(H,22,24);1-2H2,(H,3,4,5)(H,6,7,8)/b18-17-;