(3E)-3-[[4-[3-(dimethylamino)propyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-2-oxidanylidene-1H-indole-5-sulfonic acid

Systemtic Name: (3E)-3-[[4-[3-(dimethylamino)propyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-2-oxidanylidene-1H-indole-5-sulfonic acid Openeye Name: (3E)-3-[[4-[3-(dimethylamino)propyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylene]-2-oxo-indoline-5-sulfonic acid CAS Name: (3E)-3-[[4-[3-(dimethylamino)propyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indole-5-sulfonic acid IUPAC Name: (3E)-3-[[4-[3-(dimethylamino)propyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indole-5-sulfonic acid Traditional Name: (3E)-3-[[4-[3-(dimethylamino)propyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylene]-2-keto-indoline-5-sulfonic acid Formula: C20H25N3O4S MolecularWeight: 403.4952

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1CCCN(C)C)C)C=C2C3=C(C=CC(=C3)S(=O)(=O)O)NC2=O

Isomeric SMILES

CC1=C(NC(=C1CCCN(C)C)C)/C=C/2\C3=C(C=CC(=C3)S(=O)(=O)O)NC2=O

InChI

InChI=1S/C20H25N3O4S/c1-12-15(6-5-9-23(3)4)13(2)21-19(12)11-17-16-10-14(28(25,26)27)7-8-18(16)22-20(17)24/h7-8,10-11,21H,5-6,9H2,1-4H3,(H,22,24)(H,25,26,27)/b17-11+