6-chloranyl-4-[(1-ethylpyrrolidin-2-yl)methyl]-3-nitro-2-oxidanyl-benzenesulfonamide

Systemtic Name: 6-chloranyl-4-[(1-ethylpyrrolidin-2-yl)methyl]-3-nitro-2-oxidanyl-benzenesulfonamide Openeye Name: 6-chloro-4-[(1-ethylpyrrolidin-2-yl)methyl]-2-hydroxy-3-nitro-benzenesulfonamide CAS Name: 6-chloro-4-[(1-ethyl-2-pyrrolidinyl)methyl]-2-hydroxy-3-nitrobenzenesulfonamide IUPAC Name: 6-chloro-4-[(1-ethylpyrrolidin-2-yl)methyl]-2-hydroxy-3-nitrobenzenesulfonamide Traditional Name: 6-chloro-4-[(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:

CCN1CCCC1CC2=CC(=C(C(=C2[N+](=O)[O-])O)S(=O)(=O)N)Cl

Isomeric SMILES

CCN1CCCC1CC2=CC(=C(C(=C2[N+](=O)[O-])O)S(=O)(=O)N)Cl

InChI

InChI=1S/C13H18ClN3O5S/c1-2-16-5-3-4-9(16)6-8-7-10(14)13(23(15,21)22)12(18)11(8)17(19)20/h7,9,18H,2-6H2,1H3,(H2,15,21,22)