3-chloranyl-5-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-2-methyl-aniline

Systemtic Name: 3-chloranyl-5-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-2-methyl-aniline Openeye Name: 3-chloro-5-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-2-methyl-aniline CAS Name: 3-chloro-5-[(4-ethyl-1-piperazin-4-iumyl)sulfonyl]-2-methylaniline IUPAC Name: 3-chloro-5-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-2-methylaniline Traditional Name: [3-chloro-5-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-2-methyl-phenyl]amine Formula: C13H21ClN3O2S+ MolecularWeight: 318.84274

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H20ClN3O2S/c1-3-16-4-6-17(7-5-16)20(18,19)11-8-12(14)10(2)13(15)9-11/h8-9H,3-7,15H2,1-2H3/p+1