1-[4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-3-nitro-phenyl]sulfonyl-4-methyl-piperazin-4-ium

Systemtic Name: 1-[4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-3-nitro-phenyl]sulfonyl-4-methyl-piperazin-4-ium Openeye Name: 1-[4-[(2,2-dimethyl-3H-benzofuran-7-yl)oxy]-3-nitro-phenyl]sulfonyl-4-methyl-piperazin-4-ium CAS Name: 1-[4-[(2,2-dimethyl-3H-benzofuran-7-yl)oxy]-3-nitrophenyl]sulfonyl-4-methylpiperazin-4-ium IUPAC Name: 1-[4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-3-nitrophenyl]sulfonyl-4-methylpiperazin-4-ium Traditional Name: 1-[4-(2,2-dimethylcoumaran-7-yl)oxy-3-nitro-phenyl]sulfonyl-4-methyl-piperazin-4-ium Formula: C21H26N3O6S+ MolecularWeight: 448.51264

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(O1)C(=CC=C2)OC3=C(C=C(C=C3)S(=O)(=O)N4CC[NH+](CC4)C)[N+](=O)[O-])C

Isomeric SMILES

CC1(CC2=C(O1)C(=CC=C2)OC3=C(C=C(C=C3)S(=O)(=O)N4CC[NH+](CC4)C)[N+](=O)[O-])C

InChI

InChI=1S/C21H25N3O6S/c1-21(2)14-15-5-4-6-19(20(15)30-21)29-18-8-7-16(13-17(18)24(25)26)31(27,28)23-11-9-22(3)10-12-23/h4-8,13H,9-12,14H2,1-3H3/p+1