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

Systemtic Name: (E)-3-[1-(4-butoxyphenyl)sulfonyl-5-ethoxy-indol-3-yl]prop-2-enoic acid Openeye Name: (E)-3-[1-(4-butoxyphenyl)sulfonyl-5-ethoxy-indol-3-yl]prop-2-enoic acid CAS Name: (E)-3-[1-(4-butoxyphenyl)sulfonyl-5-ethoxy-3-indolyl]-2-propenoic acid IUPAC Name: (E)-3-[1-(4-butoxyphenyl)sulfonyl-5-ethoxyindol-3-yl]prop-2-enoic acid Traditional Name: (E)-3-[1-(4-butoxyphenyl)sulfonyl-5-ethoxy-indol-3-yl]acrylic acid Formula: C23H25NO6S MolecularWeight: 443.5127

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=C2C=CC(=C3)OCC)C=CC(=O)O

Isomeric SMILES

CCCCOC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=C2C=CC(=C3)OCC)/C=C/C(=O)O

InChI

InChI=1S/C23H25NO6S/c1-3-5-14-30-18-7-10-20(11-8-18)31(27,28)24-16-17(6-13-23(25)26)21-15-19(29-4-2)9-12-22(21)24/h6-13,15-16H,3-5,14H2,1-2H3,(H,25,26)/b13-6+