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

Systemtic Name: N,N-dimethyl-3-[[2-(4-nitrophenyl)sulfanylpropanoylamino]carbamoyl]benzenesulfonamide Openeye Name: N,N-dimethyl-3-[[2-(4-nitrophenyl)sulfanylpropanoylamino]carbamoyl]benzenesulfonamide CAS Name: N,N-dimethyl-3-[[[2-[(4-nitrophenyl)thio]-1-oxopropyl]hydrazo]-oxomethyl]benzenesulfonamide IUPAC Name: N,N-dimethyl-3-[[2-(4-nitrophenyl)sulfanylpropanoylamino]carbamoyl]benzenesulfonamide Traditional Name: N,N-dimethyl-3-[[2-[(4-nitrophenyl)thio]propanoylamino]carbamoyl]benzenesulfonamide Formula: C18H20N4O6S2 MolecularWeight: 452.5046

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N4O6S2/c1-12(29-15-9-7-14(8-10-15)22(25)26)17(23)19-20-18(24)13-5-4-6-16(11-13)30(27,28)21(2)3/h4-12H,1-3H3,(H,19,23)(H,20,24)