N-(2-chlorophenyl)-4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-aniline

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

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NC3=CC=CC=C3Cl)[N+](=O)[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NC3=CC=CC=C3Cl)[N+](=O)[O-]

InChI

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