6-chloranyl-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-nitro-2-oxidanyl-benzenesulfonamide

Systemtic Name: 6-chloranyl-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-nitro-2-oxidanyl-benzenesulfonamide Openeye Name: 6-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-hydroxy-3-nitro-benzenesulfonamide CAS Name: 6-chloro-N-[(1-ethyl-2-pyrrolidinyl)methyl]-2-hydroxy-3-nitrobenzenesulfonamide IUPAC Name: 6-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-hydroxy-3-nitrobenzenesulfonamide Traditional Name: 6-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-hydroxy-3-nitro-benzenesulfonamide Formula: C13H18ClN3O5S MolecularWeight: 363.81712

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCCC1CNS(=O)(=O)C2=C(C=CC(=C2O)[N+](=O)[O-])Cl

Isomeric SMILES

CCN1CCCC1CNS(=O)(=O)C2=C(C=CC(=C2O)[N+](=O)[O-])Cl

InChI

InChI=1S/C13H18ClN3O5S/c1-2-16-7-3-4-9(16)8-15-23(21,22)13-10(14)5-6-11(12(13)18)17(19)20/h5-6,9,15,18H,2-4,7-8H2,1H3