1,3,3-trimethyl-2-[(1E,3E)-4-phenylazanylbuta-1,3-dienyl]-2H-indole-5-sulfonic acid

Systemtic Name: 1,3,3-trimethyl-2-[(1E,3E)-4-phenylazanylbuta-1,3-dienyl]-2H-indole-5-sulfonic acid Openeye Name: 2-[(1E,3E)-4-anilinobuta-1,3-dienyl]-1,3,3-trimethyl-indoline-5-sulfonic acid CAS Name: 2-[(1E,3E)-4-anilinobuta-1,3-dienyl]-1,3,3-trimethyl-2H-indole-5-sulfonic acid IUPAC Name: 2-[(1E,3E)-4-anilinobuta-1,3-dienyl]-1,3,3-trimethyl-2H-indole-5-sulfonic acid Traditional Name: 2-[(1E,3E)-4-anilinobuta-1,3-dienyl]-1,3,3-trimethyl-indoline-5-sulfonic acid Formula: C21H24N2O3S MolecularWeight: 384.49186

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N(C2=C1C=C(C=C2)S(=O)(=O)O)C)C=CC=CNC3=CC=CC=C3)C

Isomeric SMILES

CC1(C(N(C2=C1C=C(C=C2)S(=O)(=O)O)C)/C=C/C=C/NC3=CC=CC=C3)C

InChI

InChI=1S/C21H24N2O3S/c1-21(2)18-15-17(27(24,25)26)12-13-19(18)23(3)20(21)11-7-8-14-22-16-9-5-4-6-10-16/h4-15,20,22H,1-3H3,(H,24,25,26)/b11-7+,14-8+