N,N-diethyl-3-nitro-4-phenylsulfanyl-benzenesulfonamide

Systemtic Name: N,N-diethyl-3-nitro-4-phenylsulfanyl-benzenesulfonamide Openeye Name: N,N-diethyl-3-nitro-4-phenylsulfanyl-benzenesulfonamide CAS Name: N,N-diethyl-3-nitro-4-(phenylthio)benzenesulfonamide IUPAC Name: N,N-diethyl-3-nitro-4-phenylsulfanylbenzenesulfonamide Traditional Name: N,N-diethyl-3-nitro-4-(phenylthio)benzenesulfonamide Formula: C16H18N2O4S2 MolecularWeight: 366.45512

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N2O4S2/c1-3-17(4-2)24(21,22)14-10-11-16(15(12-14)18(19)20)23-13-8-6-5-7-9-13/h5-12H,3-4H2,1-2H3