1-[4-[1-oxidanyl-1-oxidanylidene-4-(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)butan-2-yl]phenyl]sulfonylpyrrolidine-2-carboxylic acid

Systemtic Name: 1-[4-[1-oxidanyl-1-oxidanylidene-4-(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)butan-2-yl]phenyl]sulfonylpyrrolidine-2-carboxylic acid Openeye Name: 1-[4-[1-carboxy-3-(3-oxo-4H-1,4-benzoxazin-6-yl)propyl]phenyl]sulfonylpyrrolidine-2-carboxylic acid CAS Name: 1-[4-[1-hydroxy-1-oxo-4-(3-oxo-4H-1,4-benzoxazin-6-yl)butan-2-yl]phenyl]sulfonyl-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[4-[1-hydroxy-1-oxo-4-(3-oxo-4H-1,4-benzoxazin-6-yl)butan-2-yl]phenyl]sulfonylpyrrolidine-2-carboxylic acid Traditional Name: 1-[4-[1-carboxy-3-(3-keto-4H-1,4-benzoxazin-6-yl)propyl]phenyl]sulfonylproline Formula: C23H24N2O8S MolecularWeight: 488.51026

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)S(=O)(=O)C2=CC=C(C=C2)C(CCC3=CC4=C(C=C3)OCC(=O)N4)C(=O)O)C(=O)O

Isomeric SMILES

C1CC(N(C1)S(=O)(=O)C2=CC=C(C=C2)C(CCC3=CC4=C(C=C3)OCC(=O)N4)C(=O)O)C(=O)O

InChI

InChI=1S/C23H24N2O8S/c26-21-13-33-20-10-4-14(12-18(20)24-21)3-9-17(22(27)28)15-5-7-16(8-6-15)34(31,32)25-11-1-2-19(25)23(29)30/h4-8,10,12,17,19H,1-3,9,11,13H2,(H,24,26)(H,27,28)(H,29,30)