ethyl 4-[[(4Z)-4-(aminocarbonylhydrazinylidene)-5-azanyl-pentyl]-(4-methylphenyl)sulfonyl-amino]benzoate

Systemtic Name: ethyl 4-[[(4Z)-4-(aminocarbonylhydrazinylidene)-5-azanyl-pentyl]-(4-methylphenyl)sulfonyl-amino]benzoate Openeye Name: ethyl 4-[[(4Z)-5-amino-4-(carbamoylhydrazono)pentyl]-(p-tolylsulfonyl)amino]benzoate CAS Name: 4-[[(4Z)-5-amino-4-(carbamoylhydrazinylidene)pentyl]-(4-methylphenyl)sulfonylamino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[(4Z)-5-amino-4-(carbamoylhydrazinylidene)pentyl]-(4-methylphenyl)sulfonylamino]benzoate Traditional Name: 4-[[(4Z)-5-amino-4-semicarbazono-pentyl]-tosyl-amino]benzoic acid ethyl ester Formula: C22H29N5O5S MolecularWeight: 475.56116

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N(CCCC(=NNC(=O)N)CN)S(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N(CCC/C(=N/NC(=O)N)/CN)S(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C22H29N5O5S/c1-3-32-21(28)17-8-10-19(11-9-17)27(14-4-5-18(15-23)25-26-22(24)29)33(30,31)20-12-6-16(2)7-13-20/h6-13H,3-5,14-15,23H2,1-2H3,(H3,24,26,29)/b25-18-