3-chloranyl-N,4-dimethyl-N-[2-(4-methylphenoxy)ethyl]-5-nitro-benzenesulfonamide

Systemtic Name: 3-chloranyl-N,4-dimethyl-N-[2-(4-methylphenoxy)ethyl]-5-nitro-benzenesulfonamide Openeye Name: 3-chloro-N,4-dimethyl-N-[2-(4-methylphenoxy)ethyl]-5-nitro-benzenesulfonamide CAS Name: 3-chloro-N,4-dimethyl-N-[2-(4-methylphenoxy)ethyl]-5-nitrobenzenesulfonamide IUPAC Name: 3-chloro-N,4-dimethyl-N-[2-(4-methylphenoxy)ethyl]-5-nitrobenzenesulfonamide Traditional Name: 3-chloro-N,4-dimethyl-N-[2-(4-methylphenoxy)ethyl]-5-nitro-benzenesulfonamide Formula: C17H19ClN2O5S MolecularWeight: 398.86116

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19ClN2O5S/c1-12-4-6-14(7-5-12)25-9-8-19(3)26(23,24)15-10-16(18)13(2)17(11-15)20(21)22/h4-7,10-11H,8-9H2,1-3H3