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

Systemtic Name: 4-[2-methoxy-4-(3-morpholin-4-yl-3-oxidanylidene-propyl)phenyl]-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-benzamide Openeye Name: 4-[2-methoxy-4-(3-morpholino-3-oxo-propyl)phenyl]-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-benzamide CAS Name: 4-[2-methoxy-4-[3-(4-morpholinyl)-3-oxopropyl]phenyl]-N-[3-nitro-4-[2-(phenylthio)ethylamino]phenyl]sulfonylbenzamide IUPAC Name: 4-[2-methoxy-4-(3-morpholin-4-yl-3-oxopropyl)phenyl]-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonylbenzamide Traditional Name: 4-[4-(3-keto-3-morpholino-propyl)-2-methoxy-phenyl]-N-[3-nitro-4-[2-(phenylthio)ethylamino]phenyl]sulfonyl-benzamide Formula: C35H36N4O8S2 MolecularWeight: 704.81234

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CCC(=O)N2CCOCC2)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)CCC(=O)N2CCOCC2)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/C35H36N4O8S2/c1-46-33-23-25(8-16-34(40)38-18-20-47-21-19-38)7-14-30(33)26-9-11-27(12-10-26)35(41)37-49(44,45)29-13-15-31(32(24-29)39(42)43)36-17-22-48-28-5-3-2-4-6-28/h2-7,9-15,23-24,36H,8,16-22H2,1H3,(H,37,41)