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

Systemtic Name: 4-(2-methylquinolin-8-yl)-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-benzamide Openeye Name: 4-(2-methyl-8-quinolyl)-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-benzamide CAS Name: 4-(2-methyl-8-quinolinyl)-N-[3-nitro-4-[2-(phenylthio)ethylamino]phenyl]sulfonylbenzamide IUPAC Name: 4-(2-methylquinolin-8-yl)-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonylbenzamide Traditional Name: 4-(2-methyl-8-quinolyl)-N-[3-nitro-4-[2-(phenylthio)ethylamino]phenyl]sulfonyl-benzamide Formula: C31H26N4O5S2 MolecularWeight: 598.69194

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=CC=C2C3=CC=C(C=C3)C(=O)NS(=O)(=O)C4=CC(=C(C=C4)NCCSC5=CC=CC=C5)[N+](=O)[O-])C=C1

Isomeric SMILES

CC1=NC2=C(C=CC=C2C3=CC=C(C=C3)C(=O)NS(=O)(=O)C4=CC(=C(C=C4)NCCSC5=CC=CC=C5)[N+](=O)[O-])C=C1

InChI

InChI=1S/C31H26N4O5S2/c1-21-10-11-23-6-5-9-27(30(23)33-21)22-12-14-24(15-13-22)31(36)34-42(39,40)26-16-17-28(29(20-26)35(37)38)32-18-19-41-25-7-3-2-4-8-25/h2-17,20,32H,18-19H2,1H3,(H,34,36)