2-[3,3-dimethyl-2-(1-phenylazanylethenyl)-5-sulfo-2H-indol-1-yl]hexanoic acid

Systemtic Name: 2-[3,3-dimethyl-2-(1-phenylazanylethenyl)-5-sulfo-2H-indol-1-yl]hexanoic acid Openeye Name: 2-[2-(1-anilinovinyl)-3,3-dimethyl-5-sulfo-indolin-1-yl]hexanoic acid CAS Name: 2-[2-(1-anilinoethenyl)-3,3-dimethyl-5-sulfo-2H-indol-1-yl]hexanoic acid IUPAC Name: 2-[2-(1-anilinoethenyl)-3,3-dimethyl-5-sulfo-2H-indol-1-yl]hexanoic acid Traditional Name: 2-[2-(1-anilinovinyl)-3,3-dimethyl-5-sulfo-indolin-1-yl]hexanoic acid Formula: C24H30N2O5S MolecularWeight: 458.5704

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)O)N1C(C(C2=C1C=CC(=C2)S(=O)(=O)O)(C)C)C(=C)NC3=CC=CC=C3

Isomeric SMILES

CCCCC(C(=O)O)N1C(C(C2=C1C=CC(=C2)S(=O)(=O)O)(C)C)C(=C)NC3=CC=CC=C3

InChI

InChI=1S/C24H30N2O5S/c1-5-6-12-21(23(27)28)26-20-14-13-18(32(29,30)31)15-19(20)24(3,4)22(26)16(2)25-17-10-8-7-9-11-17/h7-11,13-15,21-22,25H,2,5-6,12H2,1,3-4H3,(H,27,28)(H,29,30,31)