N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]-4-methylsulfonyl-2-nitro-aniline

Systemtic Name: N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]-4-methylsulfonyl-2-nitro-aniline Openeye Name: 4-methylsulfonyl-2-nitro-N-[2-(p-tolylmethylsulfanyl)ethyl]aniline CAS Name: N-[2-[(4-methylphenyl)methylthio]ethyl]-4-methylsulfonyl-2-nitroaniline IUPAC Name: N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]-4-methylsulfonyl-2-nitroaniline Traditional Name: (4-mesyl-2-nitro-phenyl)-[2-[(4-methylbenzyl)thio]ethyl]amine Formula: C17H20N2O4S2 MolecularWeight: 380.4817

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSCCNC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)CSCCNC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C17H20N2O4S2/c1-13-3-5-14(6-4-13)12-24-10-9-18-16-8-7-15(25(2,22)23)11-17(16)19(20)21/h3-8,11,18H,9-10,12H2,1-2H3