3-chloranyl-N-[(4-dimethylaminophenyl)methyl]-N-ethyl-4-methyl-5-nitro-benzenesulfonamide

Systemtic Name: 3-chloranyl-N-[(4-dimethylaminophenyl)methyl]-N-ethyl-4-methyl-5-nitro-benzenesulfonamide Openeye Name: 3-chloro-N-[(4-dimethylaminophenyl)methyl]-N-ethyl-4-methyl-5-nitro-benzenesulfonamide CAS Name: 3-chloro-N-[(4-dimethylaminophenyl)methyl]-N-ethyl-4-methyl-5-nitrobenzenesulfonamide IUPAC Name: 3-chloro-N-[(4-dimethylaminophenyl)methyl]-N-ethyl-4-methyl-5-nitrobenzenesulfonamide Traditional Name: 3-chloro-N-[4-(dimethylamino)benzyl]-N-ethyl-4-methyl-5-nitro-benzenesulfonamide Formula: C18H22ClN3O4S MolecularWeight: 411.90298

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22ClN3O4S/c1-5-21(12-14-6-8-15(9-7-14)20(3)4)27(25,26)16-10-17(19)13(2)18(11-16)22(23)24/h6-11H,5,12H2,1-4H3