N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-4-(5-nitropyridin-2-yl)benzamide

Systemtic Name: N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-4-(5-nitropyridin-2-yl)benzamide Openeye Name: N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-4-(5-nitro-2-pyridyl)benzamide CAS Name: N-[3-nitro-4-[2-(phenylthio)ethylamino]phenyl]sulfonyl-4-(5-nitro-2-pyridinyl)benzamide IUPAC Name: N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-4-(5-nitropyridin-2-yl)benzamide Traditional Name: N-[3-nitro-4-[2-(phenylthio)ethylamino]phenyl]sulfonyl-4-(5-nitro-2-pyridyl)benzamide Formula: C26H21N5O7S2 MolecularWeight: 579.60424

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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=NC=C(C=C4)[N+](=O)[O-])[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=NC=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C26H21N5O7S2/c32-26(19-8-6-18(7-9-19)23-12-10-20(17-28-23)30(33)34)29-40(37,38)22-11-13-24(25(16-22)31(35)36)27-14-15-39-21-4-2-1-3-5-21/h1-13,16-17,27H,14-15H2,(H,29,32)