N-[2-[(3,4-dichlorophenyl)methylsulfanyl]ethyl]-4-methyl-3-nitro-benzenesulfonamide

Systemtic Name: N-[2-[(3,4-dichlorophenyl)methylsulfanyl]ethyl]-4-methyl-3-nitro-benzenesulfonamide Openeye Name: N-[2-[(3,4-dichlorophenyl)methylsulfanyl]ethyl]-4-methyl-3-nitro-benzenesulfonamide CAS Name: N-[2-[(3,4-dichlorophenyl)methylthio]ethyl]-4-methyl-3-nitrobenzenesulfonamide IUPAC Name: N-[2-[(3,4-dichlorophenyl)methylsulfanyl]ethyl]-4-methyl-3-nitrobenzenesulfonamide Traditional Name: N-[2-[(3,4-dichlorobenzyl)thio]ethyl]-4-methyl-3-nitro-benzenesulfonamide Formula: C16H16Cl2N2O4S2 MolecularWeight: 435.34524

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NCCSCC2=CC(=C(C=C2)Cl)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NCCSCC2=CC(=C(C=C2)Cl)Cl)[N+](=O)[O-]

InChI

InChI=1S/C16H16Cl2N2O4S2/c1-11-2-4-13(9-16(11)20(21)22)26(23,24)19-6-7-25-10-12-3-5-14(17)15(18)8-12/h2-5,8-9,19H,6-7,10H2,1H3