4-chloranyl-N-[(4-dimethylaminophenyl)methyl]-N-ethyl-2-nitro-benzenesulfonamide

Systemtic Name: 4-chloranyl-N-[(4-dimethylaminophenyl)methyl]-N-ethyl-2-nitro-benzenesulfonamide Openeye Name: 4-chloro-N-[(4-dimethylaminophenyl)methyl]-N-ethyl-2-nitro-benzenesulfonamide CAS Name: 4-chloro-N-[(4-dimethylaminophenyl)methyl]-N-ethyl-2-nitrobenzenesulfonamide IUPAC Name: 4-chloro-N-[(4-dimethylaminophenyl)methyl]-N-ethyl-2-nitrobenzenesulfonamide Traditional Name: 4-chloro-N-[4-(dimethylamino)benzyl]-N-ethyl-2-nitro-benzenesulfonamide Formula: C17H20ClN3O4S MolecularWeight: 397.8764

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=C(C=C1)N(C)C)S(=O)(=O)C2=C(C=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CCN(CC1=CC=C(C=C1)N(C)C)S(=O)(=O)C2=C(C=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C17H20ClN3O4S/c1-4-20(12-13-5-8-15(9-6-13)19(2)3)26(24,25)17-10-7-14(18)11-16(17)21(22)23/h5-11H,4,12H2,1-3H3