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

Systemtic Name: 3-[(4-nitrophenyl)methyl-[3-(phenylsulfonylcarbamoylamino)phenyl]sulfonyl-amino]propanoic acid Openeye Name: 3-[[3-(benzenesulfonylcarbamoylamino)phenyl]sulfonyl-[(4-nitrophenyl)methyl]amino]propanoic acid CAS Name: 3-[[3-[[benzenesulfonamido(oxo)methyl]amino]phenyl]sulfonyl-[(4-nitrophenyl)methyl]amino]propanoic acid IUPAC Name: 3-[[3-(benzenesulfonylcarbamoylamino)phenyl]sulfonyl-[(4-nitrophenyl)methyl]amino]propanoic acid Traditional Name: 3-[[3-(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(=CC=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(=CC=C2)S(=O)(=O)N(CCC(=O)O)CC3=CC=C(C=C3)[N+](=O)[O-]

InChI

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