4-[(E)-2-[4-(quinolin-2-ylmethylsulfonyl)phenyl]ethenyl]benzoic acid

Systemtic Name: 4-[(E)-2-[4-(quinolin-2-ylmethylsulfonyl)phenyl]ethenyl]benzoic acid Openeye Name: 4-[(E)-2-[4-(2-quinolylmethylsulfonyl)phenyl]vinyl]benzoic acid CAS Name: 4-[(E)-2-[4-(2-quinolinylmethylsulfonyl)phenyl]ethenyl]benzoic acid IUPAC Name: 4-[(E)-2-[4-(quinolin-2-ylmethylsulfonyl)phenyl]ethenyl]benzoic acid Traditional Name: 4-[(E)-2-[4-(2-quinolylmethylsulfonyl)phenyl]vinyl]benzoic acid Formula: C25H19NO4S MolecularWeight: 429.48766

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC(=N2)CS(=O)(=O)C3=CC=C(C=C3)C=CC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=CC(=N2)CS(=O)(=O)C3=CC=C(C=C3)/C=C/C4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C25H19NO4S/c27-25(28)21-11-7-18(8-12-21)5-6-19-9-15-23(16-10-19)31(29,30)17-22-14-13-20-3-1-2-4-24(20)26-22/h1-16H,17H2,(H,27,28)/b6-5+