N,N-diethyl-4-[(2-methylphenyl)methylsulfanyl]-3-nitro-benzenesulfonamide

Systemtic Name: N,N-diethyl-4-[(2-methylphenyl)methylsulfanyl]-3-nitro-benzenesulfonamide Openeye Name: N,N-diethyl-3-nitro-4-(o-tolylmethylsulfanyl)benzenesulfonamide CAS Name: N,N-diethyl-4-[(2-methylphenyl)methylthio]-3-nitrobenzenesulfonamide IUPAC Name: N,N-diethyl-4-[(2-methylphenyl)methylsulfanyl]-3-nitrobenzenesulfonamide Traditional Name: N,N-diethyl-4-[(2-methylbenzyl)thio]-3-nitro-benzenesulfonamide Formula: C18H22N2O4S2 MolecularWeight: 394.50828

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)SCC2=CC=CC=C2C)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)SCC2=CC=CC=C2C)[N+](=O)[O-]

InChI

InChI=1S/C18H22N2O4S2/c1-4-19(5-2)26(23,24)16-10-11-18(17(12-16)20(21)22)25-13-15-9-7-6-8-14(15)3/h6-12H,4-5,13H2,1-3H3