N-(2-methoxyphenyl)-5-nitro-2-(4-propylpiperazin-4-ium-1-yl)benzenesulfonamide

Systemtic Name: N-(2-methoxyphenyl)-5-nitro-2-(4-propylpiperazin-4-ium-1-yl)benzenesulfonamide Openeye Name: N-(2-methoxyphenyl)-5-nitro-2-(4-propylpiperazin-4-ium-1-yl)benzenesulfonamide CAS Name: N-(2-methoxyphenyl)-5-nitro-2-(4-propyl-1-piperazin-4-iumyl)benzenesulfonamide IUPAC Name: N-(2-methoxyphenyl)-5-nitro-2-(4-propylpiperazin-4-ium-1-yl)benzenesulfonamide Traditional Name: N-(2-methoxyphenyl)-5-nitro-2-(4-propylpiperazin-4-ium-1-yl)benzenesulfonamide Formula: C20H27N4O5S+ MolecularWeight: 435.51718

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)NC3=CC=CC=C3OC

Isomeric SMILES

CCC[NH+]1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)NC3=CC=CC=C3OC

InChI

InChI=1S/C20H26N4O5S/c1-3-10-22-11-13-23(14-12-22)18-9-8-16(24(25)26)15-20(18)30(27,28)21-17-6-4-5-7-19(17)29-2/h4-9,15,21H,3,10-14H2,1-2H3/p+1