4-[4-(2-fluorophenyl)sulfonyl-2,2-dimethyl-3H-1,4-benzoxazin-8-yl]piperazine-1-carboxylic acid

Systemtic Name: 4-[4-(2-fluorophenyl)sulfonyl-2,2-dimethyl-3H-1,4-benzoxazin-8-yl]piperazine-1-carboxylic acid Openeye Name: 4-[4-(2-fluorophenyl)sulfonyl-2,2-dimethyl-3H-1,4-benzoxazin-8-yl]piperazine-1-carboxylic acid CAS Name: 4-[4-(2-fluorophenyl)sulfonyl-2,2-dimethyl-3H-1,4-benzoxazin-8-yl]-1-piperazinecarboxylic acid IUPAC Name: 4-[4-(2-fluorophenyl)sulfonyl-2,2-dimethyl-3H-1,4-benzoxazin-8-yl]piperazine-1-carboxylic acid Traditional Name: 4-[4-(2-fluorophenyl)sulfonyl-2,2-dimethyl-3H-1,4-benzoxazin-8-yl]piperazine-1-carboxylic acid Formula: C21H24FN3O5S MolecularWeight: 449.495763

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CN(C2=CC=CC(=C2O1)N3CCN(CC3)C(=O)O)S(=O)(=O)C4=CC=CC=C4F)C

Isomeric SMILES

CC1(CN(C2=CC=CC(=C2O1)N3CCN(CC3)C(=O)O)S(=O)(=O)C4=CC=CC=C4F)C

InChI

InChI=1S/C21H24FN3O5S/c1-21(2)14-25(31(28,29)18-9-4-3-6-15(18)22)17-8-5-7-16(19(17)30-21)23-10-12-24(13-11-23)20(26)27/h3-9H,10-14H2,1-2H3,(H,26,27)