(E)-3-[4-(benzimidazol-1-yl)phenyl]-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)prop-2-enoic acid

Systemtic Name: (E)-3-[4-(benzimidazol-1-yl)phenyl]-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)prop-2-enoic acid Openeye Name: (E)-3-[4-(benzimidazol-1-yl)phenyl]-2-(5-pyrrolidin-1-ylsulfonyl-2-thienyl)prop-2-enoic acid CAS Name: (E)-3-[4-(1-benzimidazolyl)phenyl]-2-[5-(1-pyrrolidinylsulfonyl)-2-thiophenyl]-2-propenoic acid IUPAC Name: (E)-3-[4-(benzimidazol-1-yl)phenyl]-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)prop-2-enoic acid Traditional Name: (E)-3-[4-(benzimidazol-1-yl)phenyl]-2-(5-pyrrolidinosulfonyl-2-thienyl)acrylic acid Formula: C24H21N3O4S2 MolecularWeight: 479.57124

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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=NC5=CC=CC=C54)C(=O)O

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(S2)/C(=C/C3=CC=C(C=C3)N4C=NC5=CC=CC=C54)/C(=O)O

InChI

InChI=1S/C24H21N3O4S2/c28-24(29)19(22-11-12-23(32-22)33(30,31)26-13-3-4-14-26)15-17-7-9-18(10-8-17)27-16-25-20-5-1-2-6-21(20)27/h1-2,5-12,15-16H,3-4,13-14H2,(H,28,29)/b19-15-