N,N-diethyl-3-[[2-(4-nitrophenyl)sulfanylpropanoylamino]carbamoyl]benzenesulfonamide

Systemtic Name: N,N-diethyl-3-[[2-(4-nitrophenyl)sulfanylpropanoylamino]carbamoyl]benzenesulfonamide Openeye Name: N,N-diethyl-3-[[2-(4-nitrophenyl)sulfanylpropanoylamino]carbamoyl]benzenesulfonamide CAS Name: N,N-diethyl-3-[[[2-[(4-nitrophenyl)thio]-1-oxopropyl]hydrazo]-oxomethyl]benzenesulfonamide IUPAC Name: N,N-diethyl-3-[[2-(4-nitrophenyl)sulfanylpropanoylamino]carbamoyl]benzenesulfonamide Traditional Name: N,N-diethyl-3-[[2-[(4-nitrophenyl)thio]propanoylamino]carbamoyl]benzenesulfonamide Formula: C20H24N4O6S2 MolecularWeight: 480.55776

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N4O6S2/c1-4-23(5-2)32(29,30)18-8-6-7-15(13-18)20(26)22-21-19(25)14(3)31-17-11-9-16(10-12-17)24(27)28/h6-14H,4-5H2,1-3H3,(H,21,25)(H,22,26)