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

Systemtic Name: (E)-3-[3-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]sulfonyl-4-methoxy-phenyl]prop-2-enoic acid Openeye Name: (E)-3-[3-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]sulfonyl-4-methoxy-phenyl]prop-2-enoic acid CAS Name: (E)-3-[3-[[2-(4-ethoxyphenyl)-1-pyrrolidinyl]sulfonyl]-4-methoxyphenyl]-2-propenoic acid IUPAC Name: (E)-3-[3-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]sulfonyl-4-methoxyphenyl]prop-2-enoic acid Traditional Name: (E)-3-[4-methoxy-3-(2-p-phenetylpyrrolidino)sulfonyl-phenyl]acrylic acid Formula: C22H25NO6S MolecularWeight: 431.502

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25NO6S/c1-3-29-18-10-8-17(9-11-18)19-5-4-14-23(19)30(26,27)21-15-16(7-13-22(24)25)6-12-20(21)28-2/h6-13,15,19H,3-5,14H2,1-2H3,(H,24,25)/b13-7+