4-chloranyl-N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-3-nitro-benzenesulfonamide

Systemtic Name: 4-chloranyl-N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-3-nitro-benzenesulfonamide Openeye Name: 4-chloro-N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-3-nitro-benzenesulfonamide CAS Name: 4-chloro-N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-3-nitrobenzenesulfonamide IUPAC Name: 4-chloro-N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-3-nitrobenzenesulfonamide Traditional Name: 4-chloro-N-ethyl-3-nitro-N-veratryl-benzenesulfonamide Formula: C17H19ClN2O6S MolecularWeight: 414.86056

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19ClN2O6S/c1-4-19(11-12-5-8-16(25-2)17(9-12)26-3)27(23,24)13-6-7-14(18)15(10-13)20(21)22/h5-10H,4,11H2,1-3H3