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

Systemtic Name: 3-[(4-nitrophenyl)methyl-[4-(phenylsulfonylcarbamoylamino)phenyl]sulfonyl-amino]propanoic acid Openeye Name: 3-[[4-(benzenesulfonylcarbamoylamino)phenyl]sulfonyl-[(4-nitrophenyl)methyl]amino]propanoic acid CAS Name: 3-[[4-[[benzenesulfonamido(oxo)methyl]amino]phenyl]sulfonyl-[(4-nitrophenyl)methyl]amino]propanoic acid IUPAC Name: 3-[[4-(benzenesulfonylcarbamoylamino)phenyl]sulfonyl-[(4-nitrophenyl)methyl]amino]propanoic acid Traditional Name: 3-[[4-(besylcarbamoylamino)phenyl]sulfonyl-(4-nitrobenzyl)amino]propionic acid Formula: C23H22N4O9S2 MolecularWeight: 562.57218

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H22N4O9S2/c28-22(29)14-15-26(16-17-6-10-19(11-7-17)27(31)32)38(35,36)21-12-8-18(9-13-21)24-23(30)25-37(33,34)20-4-2-1-3-5-20/h1-13H,14-16H2,(H,28,29)(H2,24,25,30)