2-methyl-3-nitro-N-[(2R)-2-pyrrolidin-1-ium-1-ylbutyl]benzenesulfonamide

Systemtic Name: 2-methyl-3-nitro-N-[(2R)-2-pyrrolidin-1-ium-1-ylbutyl]benzenesulfonamide Openeye Name: 2-methyl-3-nitro-N-[(2R)-2-pyrrolidin-1-ium-1-ylbutyl]benzenesulfonamide CAS Name: 2-methyl-3-nitro-N-[(2R)-2-(1-pyrrolidin-1-iumyl)butyl]benzenesulfonamide IUPAC Name: 2-methyl-3-nitro-N-[(2R)-2-pyrrolidin-1-ium-1-ylbutyl]benzenesulfonamide Traditional Name: 2-methyl-3-nitro-N-[(2R)-2-pyrrolidin-1-ium-1-ylbutyl]benzenesulfonamide Formula: C15H24N3O4S+ MolecularWeight: 342.43376

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CNS(=O)(=O)C1=CC=CC(=C1C)[N+](=O)[O-])[NH+]2CCCC2

Isomeric SMILES

CC[C@H](CNS(=O)(=O)C1=CC=CC(=C1C)[N+](=O)[O-])[NH+]2CCCC2

InChI

InChI=1S/C15H23N3O4S/c1-3-13(17-9-4-5-10-17)11-16-23(21,22)15-8-6-7-14(12(15)2)18(19)20/h6-8,13,16H,3-5,9-11H2,1-2H3/p+1/t13-/m1/s1