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

Systemtic Name: 2,6-bis(chloranyl)-4-[(1-ethylpyrrolidin-2-yl)methyl]-3-nitro-benzenesulfonamide Openeye Name: 2,6-dichloro-4-[(1-ethylpyrrolidin-2-yl)methyl]-3-nitro-benzenesulfonamide CAS Name: 2,6-dichloro-4-[(1-ethyl-2-pyrrolidinyl)methyl]-3-nitrobenzenesulfonamide IUPAC Name: 2,6-dichloro-4-[(1-ethylpyrrolidin-2-yl)methyl]-3-nitrobenzenesulfonamide Traditional Name: 2,6-dichloro-4-[(1-ethylpyrrolidin-2-yl)methyl]-3-nitro-benzenesulfonamide Formula: C13H17Cl2N3O4S MolecularWeight: 382.26278

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17Cl2N3O4S/c1-2-17-5-3-4-9(17)6-8-7-10(14)13(23(16,21)22)11(15)12(8)18(19)20/h7,9H,2-6H2,1H3,(H2,16,21,22)