2-[(E)-[2-[(2-methylphenyl)-methylsulfonyl-amino]ethanoylhydrazinylidene]methyl]benzoic acid

Systemtic Name: 2-[(E)-[2-[(2-methylphenyl)-methylsulfonyl-amino]ethanoylhydrazinylidene]methyl]benzoic acid Openeye Name: 2-[(E)-[[2-(2-methyl-N-methylsulfonyl-anilino)acetyl]hydrazono]methyl]benzoic acid CAS Name: 2-[(E)-[[2-(2-methyl-N-methylsulfonylanilino)-1-oxoethyl]hydrazinylidene]methyl]benzoic acid IUPAC Name: 2-[(E)-[[2-(2-methyl-N-methylsulfonylanilino)acetyl]hydrazinylidene]methyl]benzoic acid Traditional Name: 2-[(E)-[[2-(N-mesyl-2-methyl-anilino)acetyl]hydrazono]methyl]benzoic acid Formula: C18H19N3O5S MolecularWeight: 389.42556

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N(CC(=O)NN=CC2=CC=CC=C2C(=O)O)S(=O)(=O)C

Isomeric SMILES

CC1=CC=CC=C1N(CC(=O)N/N=C/C2=CC=CC=C2C(=O)O)S(=O)(=O)C

InChI

InChI=1S/C18H19N3O5S/c1-13-7-3-6-10-16(13)21(27(2,25)26)12-17(22)20-19-11-14-8-4-5-9-15(14)18(23)24/h3-11H,12H2,1-2H3,(H,20,22)(H,23,24)/b19-11+