(E)-3-(4-imidazol-1-ylphenyl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)prop-2-enoic acid

Systemtic Name: (E)-3-(4-imidazol-1-ylphenyl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)prop-2-enoic acid Openeye Name: (E)-3-(4-imidazol-1-ylphenyl)-2-(5-pyrrolidin-1-ylsulfonyl-2-thienyl)prop-2-enoic acid CAS Name: (E)-3-[4-(1-imidazolyl)phenyl]-2-[5-(1-pyrrolidinylsulfonyl)-2-thiophenyl]-2-propenoic acid IUPAC Name: (E)-3-(4-imidazol-1-ylphenyl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)prop-2-enoic acid Traditional Name: (E)-3-(4-imidazol-1-ylphenyl)-2-(5-pyrrolidinosulfonyl-2-thienyl)acrylic acid Formula: C20H19N3O4S2 MolecularWeight: 429.51256

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(S2)C(=CC3=CC=C(C=C3)N4C=CN=C4)C(=O)O

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(S2)/C(=C/C3=CC=C(C=C3)N4C=CN=C4)/C(=O)O

InChI

InChI=1S/C20H19N3O4S2/c24-20(25)17(13-15-3-5-16(6-4-15)22-12-9-21-14-22)18-7-8-19(28-18)29(26,27)23-10-1-2-11-23/h3-9,12-14H,1-2,10-11H2,(H,24,25)/b17-13-