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

Systemtic Name: N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-2-nitro-aniline Openeye Name: N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-2-nitro-aniline CAS Name: N-[4-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]phenyl]-2-nitroaniline IUPAC Name: N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-2-nitroaniline Traditional Name: [4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-(2-nitrophenyl)amine Formula: C17H21N4O4S+ MolecularWeight: 377.43804

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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=C3[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C17H20N4O4S/c1-19-10-12-20(13-11-19)26(24,25)15-8-6-14(7-9-15)18-16-4-2-3-5-17(16)21(22)23/h2-9,18H,10-13H2,1H3/p+1