2-[[4-[(4-methylphenyl)sulfonylcarbamoylamino]phenyl]sulfonyl-[(4-nitrophenyl)methyl]amino]ethanoic acid

Systemtic Name: 2-[[4-[(4-methylphenyl)sulfonylcarbamoylamino]phenyl]sulfonyl-[(4-nitrophenyl)methyl]amino]ethanoic acid Openeye Name: 2-[(4-nitrophenyl)methyl-[4-(p-tolylsulfonylcarbamoylamino)phenyl]sulfonyl-amino]acetic acid CAS Name: 2-[[4-[[[(4-methylphenyl)sulfonylamino]-oxomethyl]amino]phenyl]sulfonyl-[(4-nitrophenyl)methyl]amino]acetic acid IUPAC Name: 2-[[4-[(4-methylphenyl)sulfonylcarbamoylamino]phenyl]sulfonyl-[(4-nitrophenyl)methyl]amino]acetic acid Traditional Name: 2-[(4-nitrobenzyl)-[4-(tosylcarbamoylamino)phenyl]sulfonyl-amino]acetic acid Formula: C23H22N4O9S2 MolecularWeight: 562.57218

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC2=CC=C(C=C2)S(=O)(=O)N(CC3=CC=C(C=C3)[N+](=O)[O-])CC(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC2=CC=C(C=C2)S(=O)(=O)N(CC3=CC=C(C=C3)[N+](=O)[O-])CC(=O)O

InChI

InChI=1S/C23H22N4O9S2/c1-16-2-10-20(11-3-16)37(33,34)25-23(30)24-18-6-12-21(13-7-18)38(35,36)26(15-22(28)29)14-17-4-8-19(9-5-17)27(31)32/h2-13H,14-15H2,1H3,(H,28,29)(H2,24,25,30)