3-chloranyl-4-methyl-5-nitro-N-(2-pyrrolidin-1-ium-1-ylethyl)benzenesulfonamide

Systemtic Name: 3-chloranyl-4-methyl-5-nitro-N-(2-pyrrolidin-1-ium-1-ylethyl)benzenesulfonamide Openeye Name: 3-chloro-4-methyl-5-nitro-N-(2-pyrrolidin-1-ium-1-ylethyl)benzenesulfonamide CAS Name: 3-chloro-4-methyl-5-nitro-N-[2-(1-pyrrolidin-1-iumyl)ethyl]benzenesulfonamide IUPAC Name: 3-chloro-4-methyl-5-nitro-N-(2-pyrrolidin-1-ium-1-ylethyl)benzenesulfonamide Traditional Name: 3-chloro-4-methyl-5-nitro-N-(2-pyrrolidin-1-ium-1-ylethyl)benzenesulfonamide Formula: C13H19ClN3O4S+ MolecularWeight: 348.82566

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1[N+](=O)[O-])S(=O)(=O)NCC[NH+]2CCCC2)Cl

Isomeric SMILES

CC1=C(C=C(C=C1[N+](=O)[O-])S(=O)(=O)NCC[NH+]2CCCC2)Cl

InChI

InChI=1S/C13H18ClN3O4S/c1-10-12(14)8-11(9-13(10)17(18)19)22(20,21)15-4-7-16-5-2-3-6-16/h8-9,15H,2-7H2,1H3/p+1