2-[[1-(4-nitrophenyl)sulfonylpyrrolidin-2-yl]carbonylamino]-3-phenyl-propanoic acid

Systemtic Name: 2-[[1-(4-nitrophenyl)sulfonylpyrrolidin-2-yl]carbonylamino]-3-phenyl-propanoic acid Openeye Name: 2-[[1-(4-nitrophenyl)sulfonylpyrrolidine-2-carbonyl]amino]-3-phenyl-propanoic acid CAS Name: 2-[[[1-(4-nitrophenyl)sulfonyl-2-pyrrolidinyl]-oxomethyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[1-(4-nitrophenyl)sulfonylpyrrolidine-2-carbonyl]amino]-3-phenylpropanoic acid Traditional Name: 2-[(1-nosylprolyl)amino]-3-phenyl-propionic acid Formula: C20H21N3O7S MolecularWeight: 447.46164

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)NC(CC3=CC=CC=C3)C(=O)O

Isomeric SMILES

C1CC(N(C1)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)NC(CC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C20H21N3O7S/c24-19(21-17(20(25)26)13-14-5-2-1-3-6-14)18-7-4-12-22(18)31(29,30)16-10-8-15(9-11-16)23(27)28/h1-3,5-6,8-11,17-18H,4,7,12-13H2,(H,21,24)(H,25,26)