N-[2-(3,4-dimethylphenyl)sulfanylethyl]-4-methylsulfonyl-2-nitro-aniline

Systemtic Name: N-[2-(3,4-dimethylphenyl)sulfanylethyl]-4-methylsulfonyl-2-nitro-aniline Openeye Name: N-[2-(3,4-dimethylphenyl)sulfanylethyl]-4-methylsulfonyl-2-nitro-aniline CAS Name: N-[2-[(3,4-dimethylphenyl)thio]ethyl]-4-methylsulfonyl-2-nitroaniline IUPAC Name: N-[2-(3,4-dimethylphenyl)sulfanylethyl]-4-methylsulfonyl-2-nitroaniline Traditional Name: 2-[(3,4-dimethylphenyl)thio]ethyl-(4-mesyl-2-nitro-phenyl)amine Formula: C17H20N2O4S2 MolecularWeight: 380.4817

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SCCNC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C=C(C=C1)SCCNC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-])C

InChI

InChI=1S/C17H20N2O4S2/c1-12-4-5-14(10-13(12)2)24-9-8-18-16-7-6-15(25(3,22)23)11-17(16)19(20)21/h4-7,10-11,18H,8-9H2,1-3H3