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

Systemtic Name: 3-chloranyl-N-[(4-ethoxyphenyl)methyl]-N,4-dimethyl-5-nitro-benzenesulfonamide Openeye Name: 3-chloro-N-[(4-ethoxyphenyl)methyl]-N,4-dimethyl-5-nitro-benzenesulfonamide CAS Name: 3-chloro-N-[(4-ethoxyphenyl)methyl]-N,4-dimethyl-5-nitrobenzenesulfonamide IUPAC Name: 3-chloro-N-[(4-ethoxyphenyl)methyl]-N,4-dimethyl-5-nitrobenzenesulfonamide Traditional Name: 3-chloro-N-(4-ethoxybenzyl)-N,4-dimethyl-5-nitro-benzenesulfonamide Formula: C17H19ClN2O5S MolecularWeight: 398.86116

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CN(C)S(=O)(=O)C2=CC(=C(C(=C2)[N+](=O)[O-])C)Cl

Isomeric SMILES

CCOC1=CC=C(C=C1)CN(C)S(=O)(=O)C2=CC(=C(C(=C2)[N+](=O)[O-])C)Cl

InChI

InChI=1S/C17H19ClN2O5S/c1-4-25-14-7-5-13(6-8-14)11-19(3)26(23,24)15-9-16(18)12(2)17(10-15)20(21)22/h5-10H,4,11H2,1-3H3