4-(methylsulfonylamino)-2-[[(Z)-3-naphthalen-2-ylbut-2-enoyl]amino]benzoic acid

Systemtic Name: 4-(methylsulfonylamino)-2-[[(Z)-3-naphthalen-2-ylbut-2-enoyl]amino]benzoic acid Openeye Name: 4-(methanesulfonamido)-2-[[(Z)-3-(2-naphthyl)but-2-enoyl]amino]benzoic acid CAS Name: 4-(methanesulfonamido)-2-[[(Z)-3-(2-naphthalenyl)-1-oxobut-2-enyl]amino]benzoic acid IUPAC Name: 4-(methanesulfonamido)-2-[[(Z)-3-naphthalen-2-ylbut-2-enoyl]amino]benzoic acid Traditional Name: 4-(methanesulfonamido)-2-[[(Z)-3-(2-naphthyl)but-2-enoyl]amino]benzoic acid Formula: C22H20N2O5S MolecularWeight: 424.4696

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20N2O5S/c1-14(16-8-7-15-5-3-4-6-17(15)12-16)11-21(25)23-20-13-18(24-30(2,28)29)9-10-19(20)22(26)27/h3-13,24H,1-2H3,(H,23,25)(H,26,27)/b14-11-