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

Systemtic Name: N-[2-(2,4-dimethylphenoxy)ethyl]-4-methylsulfonyl-2-nitro-aniline Openeye Name: N-[2-(2,4-dimethylphenoxy)ethyl]-4-methylsulfonyl-2-nitro-aniline CAS Name: N-[2-(2,4-dimethylphenoxy)ethyl]-4-methylsulfonyl-2-nitroaniline IUPAC Name: N-[2-(2,4-dimethylphenoxy)ethyl]-4-methylsulfonyl-2-nitroaniline Traditional Name: 2-(2,4-dimethylphenoxy)ethyl-(4-mesyl-2-nitro-phenyl)amine Formula: C17H20N2O5S MolecularWeight: 364.4161

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCCNC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C=C1)OCCNC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-])C

InChI

InChI=1S/C17H20N2O5S/c1-12-4-7-17(13(2)10-12)24-9-8-18-15-6-5-14(25(3,22)23)11-16(15)19(20)21/h4-7,10-11,18H,8-9H2,1-3H3