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

Systemtic Name: 4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-N-(2-pyridin-2-ylethyl)aniline Openeye Name: 4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-N-[2-(2-pyridyl)ethyl]aniline CAS Name: 4-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-2-nitro-N-[2-(2-pyridinyl)ethyl]aniline IUPAC Name: 4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-N-(2-pyridin-2-ylethyl)aniline Traditional Name: [4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-phenyl]-[2-(2-pyridyl)ethyl]amine Formula: C18H24N5O4S+ MolecularWeight: 406.47926

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NCCC3=CC=CC=N3)[N+](=O)[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NCCC3=CC=CC=N3)[N+](=O)[O-]

InChI

InChI=1S/C18H23N5O4S/c1-21-10-12-22(13-11-21)28(26,27)16-5-6-17(18(14-16)23(24)25)20-9-7-15-4-2-3-8-19-15/h2-6,8,14,20H,7,9-13H2,1H3/p+1