2-[(4-nitrophenyl)methyl-[3-(phenylsulfonylcarbamoylamino)phenyl]sulfonyl-amino]ethanoic acid

Systemtic Name: 2-[(4-nitrophenyl)methyl-[3-(phenylsulfonylcarbamoylamino)phenyl]sulfonyl-amino]ethanoic acid Openeye Name: 2-[[3-(benzenesulfonylcarbamoylamino)phenyl]sulfonyl-[(4-nitrophenyl)methyl]amino]acetic acid CAS Name: 2-[[3-[[benzenesulfonamido(oxo)methyl]amino]phenyl]sulfonyl-[(4-nitrophenyl)methyl]amino]acetic acid IUPAC Name: 2-[[3-(benzenesulfonylcarbamoylamino)phenyl]sulfonyl-[(4-nitrophenyl)methyl]amino]acetic acid Traditional Name: 2-[[3-(besylcarbamoylamino)phenyl]sulfonyl-(4-nitrobenzyl)amino]acetic acid Formula: C22H20N4O9S2 MolecularWeight: 548.5456

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20N4O9S2/c27-21(28)15-25(14-16-9-11-18(12-10-16)26(30)31)37(34,35)20-8-4-5-17(13-20)23-22(29)24-36(32,33)19-6-2-1-3-7-19/h1-13H,14-15H2,(H,27,28)(H2,23,24,29)