3-[[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1,3-benzoxazol-2-one

Systemtic Name: 3-[[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1,3-benzoxazol-2-one Openeye Name: 3-[[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1,3-benzoxazol-2-one CAS Name: 3-[[4-(2-methyl-5-nitrophenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-1,3-benzoxazol-2-one IUPAC Name: 3-[[4-(2-methyl-5-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1,3-benzoxazol-2-one Traditional Name: 3-[[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1,3-benzoxazol-2-one Formula: C19H21N4O6S+ MolecularWeight: 433.45824

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CC[NH+](CC2)CN3C4=CC=CC=C4OC3=O

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CC[NH+](CC2)CN3C4=CC=CC=C4OC3=O

InChI

InChI=1S/C19H20N4O6S/c1-14-6-7-15(23(25)26)12-18(14)30(27,28)21-10-8-20(9-11-21)13-22-16-4-2-3-5-17(16)29-19(22)24/h2-7,12H,8-11,13H2,1H3/p+1