(E)-3-[1-(4-butylphenyl)sulfonyl-5-ethoxy-indol-3-yl]prop-2-enoic acid

Systemtic Name: (E)-3-[1-(4-butylphenyl)sulfonyl-5-ethoxy-indol-3-yl]prop-2-enoic acid Openeye Name: (E)-3-[1-(4-butylphenyl)sulfonyl-5-ethoxy-indol-3-yl]prop-2-enoic acid CAS Name: (E)-3-[1-(4-butylphenyl)sulfonyl-5-ethoxy-3-indolyl]-2-propenoic acid IUPAC Name: (E)-3-[1-(4-butylphenyl)sulfonyl-5-ethoxyindol-3-yl]prop-2-enoic acid Traditional Name: (E)-3-[1-(4-butylphenyl)sulfonyl-5-ethoxy-indol-3-yl]acrylic acid Formula: C23H25NO5S MolecularWeight: 427.5133

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=C2C=CC(=C3)OCC)C=CC(=O)O

Isomeric SMILES

CCCCC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=C2C=CC(=C3)OCC)/C=C/C(=O)O

InChI

InChI=1S/C23H25NO5S/c1-3-5-6-17-7-11-20(12-8-17)30(27,28)24-16-18(9-14-23(25)26)21-15-19(29-4-2)10-13-22(21)24/h7-16H,3-6H2,1-2H3,(H,25,26)/b14-9+