4-(6-chloranylpyrazin-2-yl)-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-benzamide

Systemtic Name: 4-(6-chloranylpyrazin-2-yl)-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-benzamide Openeye Name: 4-(6-chloropyrazin-2-yl)-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-benzamide CAS Name: 4-(6-chloro-2-pyrazinyl)-N-[3-nitro-4-[2-(phenylthio)ethylamino]phenyl]sulfonylbenzamide IUPAC Name: 4-(6-chloropyrazin-2-yl)-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonylbenzamide Traditional Name: 4-(6-chloropyrazin-2-yl)-N-[3-nitro-4-[2-(phenylthio)ethylamino]phenyl]sulfonyl-benzamide Formula: C25H20ClN5O5S2 MolecularWeight: 570.0398

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCCNC2=C(C=C(C=C2)S(=O)(=O)NC(=O)C3=CC=C(C=C3)C4=CN=CC(=N4)Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)SCCNC2=C(C=C(C=C2)S(=O)(=O)NC(=O)C3=CC=C(C=C3)C4=CN=CC(=N4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C25H20ClN5O5S2/c26-24-16-27-15-22(29-24)17-6-8-18(9-7-17)25(32)30-38(35,36)20-10-11-21(23(14-20)31(33)34)28-12-13-37-19-4-2-1-3-5-19/h1-11,14-16,28H,12-13H2,(H,30,32)