4-(azepan-1-ylsulfonyl)-N-[2-(4-methylpiperazin-1-ium-1-yl)ethyl]-2-nitro-aniline

Systemtic Name: 4-(azepan-1-ylsulfonyl)-N-[2-(4-methylpiperazin-1-ium-1-yl)ethyl]-2-nitro-aniline Openeye Name: 4-(azepan-1-ylsulfonyl)-N-[2-(4-methylpiperazin-1-ium-1-yl)ethyl]-2-nitro-aniline CAS Name: 4-(1-azepanylsulfonyl)-N-[2-(4-methyl-1-piperazin-1-iumyl)ethyl]-2-nitroaniline IUPAC Name: 4-(azepan-1-ylsulfonyl)-N-[2-(4-methylpiperazin-1-ium-1-yl)ethyl]-2-nitroaniline Traditional Name: [4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]-[2-(4-methylpiperazin-1-ium-1-yl)ethyl]amine Formula: C19H32N5O4S+ MolecularWeight: 426.55348

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CC[NH+](CC1)CCNC2=C(C=C(C=C2)S(=O)(=O)N3CCCCCC3)[N+](=O)[O-]

Isomeric SMILES

CN1CC[NH+](CC1)CCNC2=C(C=C(C=C2)S(=O)(=O)N3CCCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C19H31N5O4S/c1-21-12-14-22(15-13-21)11-8-20-18-7-6-17(16-19(18)24(25)26)29(27,28)23-9-4-2-3-5-10-23/h6-7,16,20H,2-5,8-15H2,1H3/p+1