N,N-dimethyl-4-[3-(3-nitro-4-pyrimidin-2-ylsulfanyl-phenyl)prop-2-enoyl]benzenesulfonamide

Systemtic Name: N,N-dimethyl-4-[3-(3-nitro-4-pyrimidin-2-ylsulfanyl-phenyl)prop-2-enoyl]benzenesulfonamide Openeye Name: N,N-dimethyl-4-[3-(3-nitro-4-pyrimidin-2-ylsulfanyl-phenyl)prop-2-enoyl]benzenesulfonamide CAS Name: N,N-dimethyl-4-[3-[3-nitro-4-(2-pyrimidinylthio)phenyl]-1-oxoprop-2-enyl]benzenesulfonamide IUPAC Name: N,N-dimethyl-4-[3-(3-nitro-4-pyrimidin-2-ylsulfanylphenyl)prop-2-enoyl]benzenesulfonamide Traditional Name: N,N-dimethyl-4-[3-[3-nitro-4-(2-pyrimidylthio)phenyl]acryloyl]benzenesulfonamide Formula: C21H18N4O5S2 MolecularWeight: 470.52142

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC=C(C=C1)C(=O)C=CC2=CC(=C(C=C2)SC3=NC=CC=N3)[N+](=O)[O-]

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC=C(C=C1)C(=O)C=CC2=CC(=C(C=C2)SC3=NC=CC=N3)[N+](=O)[O-]

InChI

InChI=1S/C21H18N4O5S2/c1-24(2)32(29,30)17-8-6-16(7-9-17)19(26)10-4-15-5-11-20(18(14-15)25(27)28)31-21-22-12-3-13-23-21/h3-14H,1-2H3