2-[(2-nitrophenyl)methyl-(phenylsulfonylcarbamoyl)amino]propanoic acid

Systemtic Name: 2-[(2-nitrophenyl)methyl-(phenylsulfonylcarbamoyl)amino]propanoic acid Openeye Name: 2-[benzenesulfonylcarbamoyl-[(2-nitrophenyl)methyl]amino]propanoic acid CAS Name: 2-[[benzenesulfonamido(oxo)methyl]-[(2-nitrophenyl)methyl]amino]propanoic acid IUPAC Name: 2-[benzenesulfonylcarbamoyl-[(2-nitrophenyl)methyl]amino]propanoic acid Traditional Name: 2-[besylcarbamoyl-(2-nitrobenzyl)amino]propionic acid Formula: C17H17N3O7S MolecularWeight: 407.39778

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)N(CC1=CC=CC=C1[N+](=O)[O-])C(=O)NS(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CC(C(=O)O)N(CC1=CC=CC=C1[N+](=O)[O-])C(=O)NS(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C17H17N3O7S/c1-12(16(21)22)19(11-13-7-5-6-10-15(13)20(24)25)17(23)18-28(26,27)14-8-3-2-4-9-14/h2-10,12H,11H2,1H3,(H,18,23)(H,21,22)