N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-4-methylsulfonyl-2-nitro-aniline

Systemtic Name: N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-4-methylsulfonyl-2-nitro-aniline Openeye Name: N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-4-methylsulfonyl-2-nitro-aniline CAS Name: N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-4-methylsulfonyl-2-nitroaniline IUPAC Name: N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-4-methylsulfonyl-2-nitroaniline Traditional Name: 2-(3,5-dimethylphenoxy)ethyl-(4-mesyl-2-nitro-phenyl)-methyl-amine Formula: C18H22N2O5S MolecularWeight: 378.44268

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N2O5S/c1-13-9-14(2)11-15(10-13)25-8-7-19(3)17-6-5-16(26(4,23)24)12-18(17)20(21)22/h5-6,9-12H,7-8H2,1-4H3