2-chloranyl-N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-4-nitro-aniline

Systemtic Name: 2-chloranyl-N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-4-nitro-aniline Openeye Name: 2-chloro-N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-4-nitro-aniline CAS Name: 2-chloro-N-[4-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]phenyl]-4-nitroaniline IUPAC Name: 2-chloro-N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-4-nitroaniline Traditional Name: (2-chloro-4-nitro-phenyl)-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]amine Formula: C17H20ClN4O4S+ MolecularWeight: 411.8831

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC3=C(C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC3=C(C=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C17H19ClN4O4S/c1-20-8-10-21(11-9-20)27(25,26)15-5-2-13(3-6-15)19-17-7-4-14(22(23)24)12-16(17)18/h2-7,12,19H,8-11H2,1H3/p+1