4-(2-chloranylquinolin-8-yl)-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-benzamide

Systemtic Name: 4-(2-chloranylquinolin-8-yl)-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-benzamide Openeye Name: 4-(2-chloro-8-quinolyl)-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-benzamide CAS Name: 4-(2-chloro-8-quinolinyl)-N-[3-nitro-4-[2-(phenylthio)ethylamino]phenyl]sulfonylbenzamide IUPAC Name: 4-(2-chloroquinolin-8-yl)-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonylbenzamide Traditional Name: 4-(2-chloro-8-quinolyl)-N-[3-nitro-4-[2-(phenylthio)ethylamino]phenyl]sulfonyl-benzamide Formula: C30H23ClN4O5S2 MolecularWeight: 619.11042

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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=CC=CC5=C4N=C(C=C5)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=CC=CC5=C4N=C(C=C5)Cl)[N+](=O)[O-]

InChI

InChI=1S/C30H23ClN4O5S2/c31-28-16-13-21-5-4-8-25(29(21)33-28)20-9-11-22(12-10-20)30(36)34-42(39,40)24-14-15-26(27(19-24)35(37)38)32-17-18-41-23-6-2-1-3-7-23/h1-16,19,32H,17-18H2,(H,34,36)