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

Systemtic Name: 3-chloranyl-N-[(4-dimethylaminophenyl)methyl]-N,4-dimethyl-5-nitro-benzenesulfonamide Openeye Name: 3-chloro-N-[(4-dimethylaminophenyl)methyl]-N,4-dimethyl-5-nitro-benzenesulfonamide CAS Name: 3-chloro-N-[(4-dimethylaminophenyl)methyl]-N,4-dimethyl-5-nitrobenzenesulfonamide IUPAC Name: 3-chloro-N-[(4-dimethylaminophenyl)methyl]-N,4-dimethyl-5-nitrobenzenesulfonamide Traditional Name: 3-chloro-N-[4-(dimethylamino)benzyl]-N,4-dimethyl-5-nitro-benzenesulfonamide Formula: C17H20ClN3O4S MolecularWeight: 397.8764

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1[N+](=O)[O-])S(=O)(=O)N(C)CC2=CC=C(C=C2)N(C)C)Cl

Isomeric SMILES

CC1=C(C=C(C=C1[N+](=O)[O-])S(=O)(=O)N(C)CC2=CC=C(C=C2)N(C)C)Cl

InChI

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