2-[(E)-[2-[(4-acetamidophenyl)sulfonyl-phenethyl-amino]ethanoylhydrazinylidene]methyl]benzoic acid

Systemtic Name: 2-[(E)-[2-[(4-acetamidophenyl)sulfonyl-phenethyl-amino]ethanoylhydrazinylidene]methyl]benzoic acid Openeye Name: 2-[(E)-[[2-[(4-acetamidophenyl)sulfonyl-phenethyl-amino]acetyl]hydrazono]methyl]benzoic acid CAS Name: 2-[(E)-[[2-[(4-acetamidophenyl)sulfonyl-phenethylamino]-1-oxoethyl]hydrazinylidene]methyl]benzoic acid IUPAC Name: 2-[(E)-[[2-[(4-acetamidophenyl)sulfonyl-phenethylamino]acetyl]hydrazinylidene]methyl]benzoic acid Traditional Name: 2-[(E)-[[2-[(4-acetamidophenyl)sulfonyl-phenethyl-amino]acetyl]hydrazono]methyl]benzoic acid Formula: C26H26N4O6S MolecularWeight: 522.57284

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N(CCC2=CC=CC=C2)CC(=O)NN=CC3=CC=CC=C3C(=O)O

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N(CCC2=CC=CC=C2)CC(=O)N/N=C/C3=CC=CC=C3C(=O)O

InChI

InChI=1S/C26H26N4O6S/c1-19(31)28-22-11-13-23(14-12-22)37(35,36)30(16-15-20-7-3-2-4-8-20)18-25(32)29-27-17-21-9-5-6-10-24(21)26(33)34/h2-14,17H,15-16,18H2,1H3,(H,28,31)(H,29,32)(H,33,34)/b27-17+