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

Systemtic Name: 2-[[(Z)-3-naphthalen-2-ylbut-2-enoyl]amino]-4-sulfamoyl-benzoic acid Openeye Name: 2-[[(Z)-3-(2-naphthyl)but-2-enoyl]amino]-4-sulfamoyl-benzoic acid CAS Name: 2-[[(Z)-3-(2-naphthalenyl)-1-oxobut-2-enyl]amino]-4-sulfamoylbenzoic acid IUPAC Name: 2-[[(Z)-3-naphthalen-2-ylbut-2-enoyl]amino]-4-sulfamoylbenzoic acid Traditional Name: 2-[[(Z)-3-(2-naphthyl)but-2-enoyl]amino]-4-sulfamoyl-benzoic acid Formula: C21H18N2O5S MolecularWeight: 410.44302

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)NC1=C(C=CC(=C1)S(=O)(=O)N)C(=O)O)C2=CC3=CC=CC=C3C=C2

Isomeric SMILES

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

InChI

InChI=1S/C21H18N2O5S/c1-13(15-7-6-14-4-2-3-5-16(14)11-15)10-20(24)23-19-12-17(29(22,27)28)8-9-18(19)21(25)26/h2-12H,1H3,(H,23,24)(H,25,26)(H2,22,27,28)/b13-10-