4-azanyl-1-(4-carboxyphenyl)sulfonyl-pyrrolidine-2,4-dicarboxylic acid

Systemtic Name: 4-azanyl-1-(4-carboxyphenyl)sulfonyl-pyrrolidine-2,4-dicarboxylic acid Openeye Name: 4-amino-1-(4-carboxyphenyl)sulfonyl-pyrrolidine-2,4-dicarboxylic acid CAS Name: 4-amino-1-(4-carboxyphenyl)sulfonylpyrrolidine-2,4-dicarboxylic acid IUPAC Name: 4-amino-1-(4-carboxyphenyl)sulfonylpyrrolidine-2,4-dicarboxylic acid Traditional Name: 4-amino-1-(4-carboxyphenyl)sulfonyl-pyrrolidine-2,4-dicarboxylic acid Formula: C13H14N2O8S MolecularWeight: 358.32386

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC1(C(=O)O)N)S(=O)(=O)C2=CC=C(C=C2)C(=O)O)C(=O)O

Isomeric SMILES

C1C(N(CC1(C(=O)O)N)S(=O)(=O)C2=CC=C(C=C2)C(=O)O)C(=O)O

InChI

InChI=1S/C13H14N2O8S/c14-13(12(20)21)5-9(11(18)19)15(6-13)24(22,23)8-3-1-7(2-4-8)10(16)17/h1-4,9H,5-6,14H2,(H,16,17)(H,18,19)(H,20,21)