4-[2-methoxy-4-(2-methoxyethyl)phenyl]-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-benzamide

Systemtic Name: 4-[2-methoxy-4-(2-methoxyethyl)phenyl]-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-benzamide Openeye Name: 4-[2-methoxy-4-(2-methoxyethyl)phenyl]-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-benzamide CAS Name: 4-[2-methoxy-4-(2-methoxyethyl)phenyl]-N-[3-nitro-4-[2-(phenylthio)ethylamino]phenyl]sulfonylbenzamide IUPAC Name: 4-[2-methoxy-4-(2-methoxyethyl)phenyl]-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonylbenzamide Traditional Name: 4-[2-methoxy-4-(2-methoxyethyl)phenyl]-N-[3-nitro-4-[2-(phenylthio)ethylamino]phenyl]sulfonyl-benzamide Formula: C31H31N3O7S2 MolecularWeight: 621.72374

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Descriptors Computed from Structure

Canonical SMILES:

COCCC1=CC(=C(C=C1)C2=CC=C(C=C2)C(=O)NS(=O)(=O)C3=CC(=C(C=C3)NCCSC4=CC=CC=C4)[N+](=O)[O-])OC

Isomeric SMILES

COCCC1=CC(=C(C=C1)C2=CC=C(C=C2)C(=O)NS(=O)(=O)C3=CC(=C(C=C3)NCCSC4=CC=CC=C4)[N+](=O)[O-])OC

InChI

InChI=1S/C31H31N3O7S2/c1-40-18-16-22-8-14-27(30(20-22)41-2)23-9-11-24(12-10-23)31(35)33-43(38,39)26-13-15-28(29(21-26)34(36)37)32-17-19-42-25-6-4-3-5-7-25/h3-15,20-21,32H,16-19H2,1-2H3,(H,33,35)