1-[4-[2-carboxy-2-(4-nitrophenyl)cyclobutyl]phenyl]sulfonylpyrrolidine-2-carboxylic acid

Systemtic Name: 1-[4-[2-carboxy-2-(4-nitrophenyl)cyclobutyl]phenyl]sulfonylpyrrolidine-2-carboxylic acid Openeye Name: 1-[4-[2-carboxy-2-(4-nitrophenyl)cyclobutyl]phenyl]sulfonylpyrrolidine-2-carboxylic acid CAS Name: 1-[4-[2-carboxy-2-(4-nitrophenyl)cyclobutyl]phenyl]sulfonyl-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[4-[2-carboxy-2-(4-nitrophenyl)cyclobutyl]phenyl]sulfonylpyrrolidine-2-carboxylic acid Traditional Name: 1-[4-[2-carboxy-2-(4-nitrophenyl)cyclobutyl]phenyl]sulfonylproline Formula: C22H22N2O8S MolecularWeight: 474.48368

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)S(=O)(=O)C2=CC=C(C=C2)C3CCC3(C4=CC=C(C=C4)[N+](=O)[O-])C(=O)O)C(=O)O

Isomeric SMILES

C1CC(N(C1)S(=O)(=O)C2=CC=C(C=C2)C3CCC3(C4=CC=C(C=C4)[N+](=O)[O-])C(=O)O)C(=O)O

InChI

InChI=1S/C22H22N2O8S/c25-20(26)19-2-1-13-23(19)33(31,32)17-9-3-14(4-10-17)18-11-12-22(18,21(27)28)15-5-7-16(8-6-15)24(29)30/h3-10,18-19H,1-2,11-13H2,(H,25,26)(H,27,28)