N-[4-(4-ethylpiperazin-1-ium-1-yl)phenyl]-4-methylsulfonyl-2-nitro-aniline

Systemtic Name: N-[4-(4-ethylpiperazin-1-ium-1-yl)phenyl]-4-methylsulfonyl-2-nitro-aniline Openeye Name: N-[4-(4-ethylpiperazin-1-ium-1-yl)phenyl]-4-methylsulfonyl-2-nitro-aniline CAS Name: N-[4-(4-ethyl-1-piperazin-1-iumyl)phenyl]-4-methylsulfonyl-2-nitroaniline IUPAC Name: N-[4-(4-ethylpiperazin-1-ium-1-yl)phenyl]-4-methylsulfonyl-2-nitroaniline Traditional Name: [4-(4-ethylpiperazin-1-ium-1-yl)phenyl]-(4-mesyl-2-nitro-phenyl)amine Formula: C19H25N4O4S+ MolecularWeight: 405.4912

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CC[NH+](CC1)C2=CC=C(C=C2)NC3=C(C=C(C=C3)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CCN1CC[NH+](CC1)C2=CC=C(C=C2)NC3=C(C=C(C=C3)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C19H24N4O4S/c1-3-21-10-12-22(13-11-21)16-6-4-15(5-7-16)20-18-9-8-17(28(2,26)27)14-19(18)23(24)25/h4-9,14,20H,3,10-13H2,1-2H3/p+1