4-chloranyl-2-nitro-N-[(2R)-2-pyrrolidin-1-ium-1-ylbutyl]benzenesulfonamide

Systemtic Name: 4-chloranyl-2-nitro-N-[(2R)-2-pyrrolidin-1-ium-1-ylbutyl]benzenesulfonamide Openeye Name: 4-chloro-2-nitro-N-[(2R)-2-pyrrolidin-1-ium-1-ylbutyl]benzenesulfonamide CAS Name: 4-chloro-2-nitro-N-[(2R)-2-(1-pyrrolidin-1-iumyl)butyl]benzenesulfonamide IUPAC Name: 4-chloro-2-nitro-N-[(2R)-2-pyrrolidin-1-ium-1-ylbutyl]benzenesulfonamide Traditional Name: 4-chloro-2-nitro-N-[(2R)-2-pyrrolidin-1-ium-1-ylbutyl]benzenesulfonamide Formula: C14H21ClN3O4S+ MolecularWeight: 362.85224

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CNS(=O)(=O)C1=C(C=C(C=C1)Cl)[N+](=O)[O-])[NH+]2CCCC2

Isomeric SMILES

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

InChI

InChI=1S/C14H20ClN3O4S/c1-2-12(17-7-3-4-8-17)10-16-23(21,22)14-6-5-11(15)9-13(14)18(19)20/h5-6,9,12,16H,2-4,7-8,10H2,1H3/p+1/t12-/m1/s1