N,N-diethyl-4-[1-(4-methylsulfanylphenyl)ethylamino]-3-nitro-benzenesulfonamide

Systemtic Name: N,N-diethyl-4-[1-(4-methylsulfanylphenyl)ethylamino]-3-nitro-benzenesulfonamide Openeye Name: N,N-diethyl-4-[1-(4-methylsulfanylphenyl)ethylamino]-3-nitro-benzenesulfonamide CAS Name: N,N-diethyl-4-[1-[4-(methylthio)phenyl]ethylamino]-3-nitrobenzenesulfonamide IUPAC Name: N,N-diethyl-4-[1-(4-methylsulfanylphenyl)ethylamino]-3-nitrobenzenesulfonamide Traditional Name: N,N-diethyl-4-[1-[4-(methylthio)phenyl]ethylamino]-3-nitro-benzenesulfonamide Formula: C19H25N3O4S2 MolecularWeight: 423.5495

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25N3O4S2/c1-5-21(6-2)28(25,26)17-11-12-18(19(13-17)22(23)24)20-14(3)15-7-9-16(27-4)10-8-15/h7-14,20H,5-6H2,1-4H3