(E)-3-[4-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]sulfonylphenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[4-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]sulfonylphenyl]prop-2-enoic acid Openeye Name: (E)-3-[4-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]sulfonylphenyl]prop-2-enoic acid CAS Name: (E)-3-[4-[[2-(4-ethoxyphenyl)-1-pyrrolidinyl]sulfonyl]phenyl]-2-propenoic acid IUPAC Name: (E)-3-[4-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]sulfonylphenyl]prop-2-enoic acid Traditional Name: (E)-3-[4-(2-p-phenetylpyrrolidino)sulfonylphenyl]acrylic acid Formula: C21H23NO5S MolecularWeight: 401.47602

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2CCCN2S(=O)(=O)C3=CC=C(C=C3)C=CC(=O)O

Isomeric SMILES

CCOC1=CC=C(C=C1)C2CCCN2S(=O)(=O)C3=CC=C(C=C3)/C=C/C(=O)O

InChI

InChI=1S/C21H23NO5S/c1-2-27-18-10-8-17(9-11-18)20-4-3-15-22(20)28(25,26)19-12-5-16(6-13-19)7-14-21(23)24/h5-14,20H,2-4,15H2,1H3,(H,23,24)/b14-7+