5-methylsulfonyloxy-2-[[(Z)-3-naphthalen-2-ylbut-2-enoyl]amino]benzoic acid

Systemtic Name: 5-methylsulfonyloxy-2-[[(Z)-3-naphthalen-2-ylbut-2-enoyl]amino]benzoic acid Openeye Name: 5-methylsulfonyloxy-2-[[(Z)-3-(2-naphthyl)but-2-enoyl]amino]benzoic acid CAS Name: 5-methylsulfonyloxy-2-[[(Z)-3-(2-naphthalenyl)-1-oxobut-2-enyl]amino]benzoic acid IUPAC Name: 5-methylsulfonyloxy-2-[[(Z)-3-naphthalen-2-ylbut-2-enoyl]amino]benzoic acid Traditional Name: 5-methylsulfonyloxy-2-[[(Z)-3-(2-naphthyl)but-2-enoyl]amino]benzoic acid Formula: C22H19NO6S MolecularWeight: 425.45436

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)NC1=C(C=C(C=C1)OS(=O)(=O)C)C(=O)O)C2=CC3=CC=CC=C3C=C2

Isomeric SMILES

C/C(=C/C(=O)NC1=C(C=C(C=C1)OS(=O)(=O)C)C(=O)O)/C2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C22H19NO6S/c1-14(16-8-7-15-5-3-4-6-17(15)12-16)11-21(24)23-20-10-9-18(29-30(2,27)28)13-19(20)22(25)26/h3-13H,1-2H3,(H,23,24)(H,25,26)/b14-11-