2-[(4-chloranyl-3-nitro-phenyl)amino]ethyl-diethyl-(phenylsulfonyl)azanium hydrochloride

Systemtic Name: 2-[(4-chloranyl-3-nitro-phenyl)amino]ethyl-diethyl-(phenylsulfonyl)azanium hydrochloride Openeye Name: benzenesulfonyl-[2-(4-chloro-3-nitro-anilino)ethyl]-diethyl-ammonium hydrochloride CAS Name: benzenesulfonyl-[2-(4-chloro-3-nitroanilino)ethyl]-diethylammonium hydrochloride IUPAC Name: benzenesulfonyl-[2-(4-chloro-3-nitroanilino)ethyl]-diethylazanium hydrochloride Traditional Name: besyl-[2-(4-chloro-3-nitro-anilino)ethyl]-diethyl-ammonium hydrochloride Formula: C18H24Cl2N3O4S+ MolecularWeight: 449.37186

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+](CC)(CCNC1=CC(=C(C=C1)Cl)[N+](=O)[O-])S(=O)(=O)C2=CC=CC=C2.Cl

Isomeric SMILES

CC[N+](CC)(CCNC1=CC(=C(C=C1)Cl)[N+](=O)[O-])S(=O)(=O)C2=CC=CC=C2.Cl

InChI

InChI=1S/C18H23ClN3O4S.ClH/c1-3-22(4-2,27(25,26)16-8-6-5-7-9-16)13-12-20-15-10-11-17(19)18(14-15)21(23)24;/h5-11,14,20H,3-4,12-13H2,1-2H3;1H/q+1;