3-[3,3-dimethyl-2-[(1E,3E)-4-phenylazanylbuta-1,3-dienyl]-2H-indol-1-yl]propane-1-sulfonic acid

Systemtic Name: 3-[3,3-dimethyl-2-[(1E,3E)-4-phenylazanylbuta-1,3-dienyl]-2H-indol-1-yl]propane-1-sulfonic acid Openeye Name: 3-[2-[(1E,3E)-4-anilinobuta-1,3-dienyl]-3,3-dimethyl-indolin-1-yl]propane-1-sulfonic acid CAS Name: 3-[2-[(1E,3E)-4-anilinobuta-1,3-dienyl]-3,3-dimethyl-2H-indol-1-yl]-1-propanesulfonic acid IUPAC Name: 3-[2-[(1E,3E)-4-anilinobuta-1,3-dienyl]-3,3-dimethyl-2H-indol-1-yl]propane-1-sulfonic acid Traditional Name: 3-[2-[(1E,3E)-4-anilinobuta-1,3-dienyl]-3,3-dimethyl-indolin-1-yl]propane-1-sulfonic acid Formula: C23H28N2O3S MolecularWeight: 412.54502

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N(C2=CC=CC=C21)CCCS(=O)(=O)O)C=CC=CNC3=CC=CC=C3)C

Isomeric SMILES

CC1(C(N(C2=CC=CC=C21)CCCS(=O)(=O)O)/C=C/C=C/NC3=CC=CC=C3)C

InChI

InChI=1S/C23H28N2O3S/c1-23(2)20-13-6-7-14-21(20)25(17-10-18-29(26,27)28)22(23)15-8-9-16-24-19-11-4-3-5-12-19/h3-9,11-16,22,24H,10,17-18H2,1-2H3,(H,26,27,28)/b15-8+,16-9+