3-chloranyl-N,4-dimethyl-5-nitro-N-[(4-prop-2-enoxyphenyl)methyl]benzenesulfonamide

Systemtic Name: 3-chloranyl-N,4-dimethyl-5-nitro-N-[(4-prop-2-enoxyphenyl)methyl]benzenesulfonamide Openeye Name: N-[(4-allyloxyphenyl)methyl]-3-chloro-N,4-dimethyl-5-nitro-benzenesulfonamide CAS Name: 3-chloro-N,4-dimethyl-5-nitro-N-[(4-prop-2-enoxyphenyl)methyl]benzenesulfonamide IUPAC Name: 3-chloro-N,4-dimethyl-5-nitro-N-[(4-prop-2-enoxyphenyl)methyl]benzenesulfonamide Traditional Name: N-(4-allyloxybenzyl)-3-chloro-N,4-dimethyl-5-nitro-benzenesulfonamide Formula: C18H19ClN2O5S MolecularWeight: 410.87186

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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)OCC=C)Cl

Isomeric SMILES

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

InChI

InChI=1S/C18H19ClN2O5S/c1-4-9-26-15-7-5-14(6-8-15)12-20(3)27(24,25)16-10-17(19)13(2)18(11-16)21(22)23/h4-8,10-11H,1,9,12H2,2-3H3