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

Systemtic Name: 4-[2-methoxy-4-(2-morpholin-4-ylethyl)phenyl]-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-benzamide Openeye Name: 4-[2-methoxy-4-(2-morpholinoethyl)phenyl]-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-benzamide CAS Name: 4-[2-methoxy-4-[2-(4-morpholinyl)ethyl]phenyl]-N-[3-nitro-4-[2-(phenylthio)ethylamino]phenyl]sulfonylbenzamide IUPAC Name: 4-[2-methoxy-4-(2-morpholin-4-ylethyl)phenyl]-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonylbenzamide Traditional Name: 4-[2-methoxy-4-(2-morpholinoethyl)phenyl]-N-[3-nitro-4-[2-(phenylthio)ethylamino]phenyl]sulfonyl-benzamide Formula: C34H36N4O7S2 MolecularWeight: 676.80224

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CCN2CCOCC2)C3=CC=C(C=C3)C(=O)NS(=O)(=O)C4=CC(=C(C=C4)NCCSC5=CC=CC=C5)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=CC(=C1)CCN2CCOCC2)C3=CC=C(C=C3)C(=O)NS(=O)(=O)C4=CC(=C(C=C4)NCCSC5=CC=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C34H36N4O7S2/c1-44-33-23-25(15-17-37-18-20-45-21-19-37)7-13-30(33)26-8-10-27(11-9-26)34(39)36-47(42,43)29-12-14-31(32(24-29)38(40)41)35-16-22-46-28-5-3-2-4-6-28/h2-14,23-24,35H,15-22H2,1H3,(H,36,39)