N-[(2-chloranyl-5-nitro-phenyl)methyl]-3,4-dimethoxy-N-methyl-benzenesulfonamide

Systemtic Name: N-[(2-chloranyl-5-nitro-phenyl)methyl]-3,4-dimethoxy-N-methyl-benzenesulfonamide Openeye Name: N-[(2-chloro-5-nitro-phenyl)methyl]-3,4-dimethoxy-N-methyl-benzenesulfonamide CAS Name: N-[(2-chloro-5-nitrophenyl)methyl]-3,4-dimethoxy-N-methylbenzenesulfonamide IUPAC Name: N-[(2-chloro-5-nitrophenyl)methyl]-3,4-dimethoxy-N-methylbenzenesulfonamide Traditional Name: N-(2-chloro-5-nitro-benzyl)-3,4-dimethoxy-N-methyl-benzenesulfonamide Formula: C16H17ClN2O6S MolecularWeight: 400.83398

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17ClN2O6S/c1-18(10-11-8-12(19(20)21)4-6-14(11)17)26(22,23)13-5-7-15(24-2)16(9-13)25-3/h4-9H,10H2,1-3H3