N,N-diethyl-4-(4-methylphenyl)sulfanyl-3-nitro-benzenesulfonamide

Systemtic Name: N,N-diethyl-4-(4-methylphenyl)sulfanyl-3-nitro-benzenesulfonamide Openeye Name: N,N-diethyl-3-nitro-4-(p-tolylsulfanyl)benzenesulfonamide CAS Name: N,N-diethyl-4-[(4-methylphenyl)thio]-3-nitrobenzenesulfonamide IUPAC Name: N,N-diethyl-4-(4-methylphenyl)sulfanyl-3-nitrobenzenesulfonamide Traditional Name: N,N-diethyl-3-nitro-4-(p-tolylthio)benzenesulfonamide Formula: C17H20N2O4S2 MolecularWeight: 380.4817

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)SC2=CC=C(C=C2)C)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)SC2=CC=C(C=C2)C)[N+](=O)[O-]

InChI

InChI=1S/C17H20N2O4S2/c1-4-18(5-2)25(22,23)15-10-11-17(16(12-15)19(20)21)24-14-8-6-13(3)7-9-14/h6-12H,4-5H2,1-3H3