2-chloranyl-N-(2-diethylaminoethyl)-5-nitro-benzenesulfonamide

Systemtic Name: 2-chloranyl-N-(2-diethylaminoethyl)-5-nitro-benzenesulfonamide Openeye Name: 2-chloro-N-(2-diethylaminoethyl)-5-nitro-benzenesulfonamide CAS Name: 2-chloro-N-(2-diethylaminoethyl)-5-nitrobenzenesulfonamide IUPAC Name: 2-chloro-N-(2-diethylaminoethyl)-5-nitrobenzenesulfonamide Traditional Name: 2-chloro-N-(2-diethylaminoethyl)-5-nitro-benzenesulfonamide Formula: C12H18ClN3O4S MolecularWeight: 335.80702

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCNS(=O)(=O)C1=C(C=CC(=C1)[N+](=O)[O-])Cl

Isomeric SMILES

CCN(CC)CCNS(=O)(=O)C1=C(C=CC(=C1)[N+](=O)[O-])Cl

InChI

InChI=1S/C12H18ClN3O4S/c1-3-15(4-2)8-7-14-21(19,20)12-9-10(16(17)18)5-6-11(12)13/h5-6,9,14H,3-4,7-8H2,1-2H3