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

Systemtic Name: 4-[2-methoxy-4-(2-morpholin-4-yl-2-oxidanylidene-ethyl)phenyl]-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-benzamide Openeye Name: 4-[2-methoxy-4-(2-morpholino-2-oxo-ethyl)phenyl]-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-benzamide CAS Name: 4-[2-methoxy-4-[2-(4-morpholinyl)-2-oxoethyl]phenyl]-N-[3-nitro-4-[2-(phenylthio)ethylamino]phenyl]sulfonylbenzamide IUPAC Name: 4-[2-methoxy-4-(2-morpholin-4-yl-2-oxoethyl)phenyl]-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonylbenzamide Traditional Name: 4-[4-(2-keto-2-morpholino-ethyl)-2-methoxy-phenyl]-N-[3-nitro-4-[2-(phenylthio)ethylamino]phenyl]sulfonyl-benzamide Formula: C34H34N4O8S2 MolecularWeight: 690.78576

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CC(=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)CC(=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/C34H34N4O8S2/c1-45-32-21-24(22-33(39)37-16-18-46-19-17-37)7-13-29(32)25-8-10-26(11-9-25)34(40)36-48(43,44)28-12-14-30(31(23-28)38(41)42)35-15-20-47-27-5-3-2-4-6-27/h2-14,21,23,35H,15-20,22H2,1H3,(H,36,40)