2-(carboxycarbonylamino)-5-[[(4-cyanophenyl)methyl-(2-methoxyphenyl)sulfonyl-amino]methyl]benzoic acid

Systemtic Name: 2-(carboxycarbonylamino)-5-[[(4-cyanophenyl)methyl-(2-methoxyphenyl)sulfonyl-amino]methyl]benzoic acid Openeye Name: 5-[[(4-cyanophenyl)methyl-(2-methoxyphenyl)sulfonyl-amino]methyl]-2-(oxaloamino)benzoic acid CAS Name: 5-[[(4-cyanophenyl)methyl-(2-methoxyphenyl)sulfonylamino]methyl]-2-(oxaloamino)benzoic acid IUPAC Name: 5-[[(4-cyanophenyl)methyl-(2-methoxyphenyl)sulfonylamino]methyl]-2-(oxaloamino)benzoic acid Traditional Name: 5-[[(4-cyanobenzyl)-(2-methoxyphenyl)sulfonyl-amino]methyl]-2-(oxaloamino)benzoic acid Formula: C25H21N3O8S MolecularWeight: 523.51454

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1S(=O)(=O)N(CC2=CC=C(C=C2)C#N)CC3=CC(=C(C=C3)NC(=O)C(=O)O)C(=O)O

Isomeric SMILES

COC1=CC=CC=C1S(=O)(=O)N(CC2=CC=C(C=C2)C#N)CC3=CC(=C(C=C3)NC(=O)C(=O)O)C(=O)O

InChI

InChI=1S/C25H21N3O8S/c1-36-21-4-2-3-5-22(21)37(34,35)28(14-17-8-6-16(13-26)7-9-17)15-18-10-11-20(19(12-18)24(30)31)27-23(29)25(32)33/h2-12H,14-15H2,1H3,(H,27,29)(H,30,31)(H,32,33)