(E)-3-[4-[(2S)-2-morpholin-4-ylcarbonylpyrrolidin-1-yl]sulfonylphenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[4-[(2S)-2-morpholin-4-ylcarbonylpyrrolidin-1-yl]sulfonylphenyl]prop-2-enoic acid Openeye Name: (E)-3-[4-[(2S)-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]sulfonylphenyl]prop-2-enoic acid CAS Name: (E)-3-[4-[[(2S)-2-[4-morpholinyl(oxo)methyl]-1-pyrrolidinyl]sulfonyl]phenyl]-2-propenoic acid IUPAC Name: (E)-3-[4-[(2S)-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]sulfonylphenyl]prop-2-enoic acid Traditional Name: (E)-3-[4-[(2S)-2-(morpholine-4-carbonyl)pyrrolidino]sulfonylphenyl]acrylic acid Formula: C18H22N2O6S MolecularWeight: 394.44208

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)S(=O)(=O)C2=CC=C(C=C2)C=CC(=O)O)C(=O)N3CCOCC3

Isomeric SMILES

C1C[C@H](N(C1)S(=O)(=O)C2=CC=C(C=C2)/C=C/C(=O)O)C(=O)N3CCOCC3

InChI

InChI=1S/C18H22N2O6S/c21-17(22)8-5-14-3-6-15(7-4-14)27(24,25)20-9-1-2-16(20)18(23)19-10-12-26-13-11-19/h3-8,16H,1-2,9-13H2,(H,21,22)/b8-5+/t16-/m0/s1