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

Systemtic Name: 4-(5-chloranylpyridin-2-yl)-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-benzamide Openeye Name: 4-(5-chloro-2-pyridyl)-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-benzamide CAS Name: 4-(5-chloro-2-pyridinyl)-N-[3-nitro-4-[2-(phenylthio)ethylamino]phenyl]sulfonylbenzamide IUPAC Name: 4-(5-chloropyridin-2-yl)-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonylbenzamide Traditional Name: 4-(5-chloro-2-pyridyl)-N-[3-nitro-4-[2-(phenylthio)ethylamino]phenyl]sulfonyl-benzamide Formula: C26H21ClN4O5S2 MolecularWeight: 569.05174

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

InChI

InChI=1S/C26H21ClN4O5S2/c27-20-10-12-23(29-17-20)18-6-8-19(9-7-18)26(32)30-38(35,36)22-11-13-24(25(16-22)31(33)34)28-14-15-37-21-4-2-1-3-5-21/h1-13,16-17,28H,14-15H2,(H,30,32)