3-chloranyl-2-nitro-6-(phenylsulfonyl)aniline; 1,1-diethylaziridin-1-ium

Systemtic Name: 3-chloranyl-2-nitro-6-(phenylsulfonyl)aniline; 1,1-diethylaziridin-1-ium Openeye Name: 6-(benzenesulfonyl)-3-chloro-2-nitro-aniline; 1,1-diethylaziridin-1-ium CAS Name: 6-(benzenesulfonyl)-3-chloro-2-nitroaniline; 1,1-diethylaziridin-1-ium IUPAC Name: 6-(benzenesulfonyl)-3-chloro-2-nitroaniline; 1,1-diethylaziridin-1-ium Traditional Name: (6-besyl-3-chloro-2-nitro-phenyl)amine; 1,1-diethylethylenimin-1-ium Formula: C18H23ClN3O4S+ MolecularWeight: 412.91092

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(CC1)CC.C1=CC=C(C=C1)S(=O)(=O)C2=C(C(=C(C=C2)Cl)[N+](=O)[O-])N

Isomeric SMILES

CC[N+]1(CC1)CC.C1=CC=C(C=C1)S(=O)(=O)C2=C(C(=C(C=C2)Cl)[N+](=O)[O-])N

InChI

InChI=1S/C12H9ClN2O4S.C6H14N/c13-9-6-7-10(11(14)12(9)15(16)17)20(18,19)8-4-2-1-3-5-8;1-3-7(4-2)5-6-7/h1-7H,14H2;3-6H2,1-2H3/q;+1