4-(3-methyl-2-morpholin-4-yl-1-benzothiophen-5-yl)-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-benzamide

Systemtic Name: 4-(3-methyl-2-morpholin-4-yl-1-benzothiophen-5-yl)-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-benzamide Openeye Name: 4-(3-methyl-2-morpholino-benzothiophen-5-yl)-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-benzamide CAS Name: 4-[3-methyl-2-(4-morpholinyl)-1-benzothiophen-5-yl]-N-[3-nitro-4-[2-(phenylthio)ethylamino]phenyl]sulfonylbenzamide IUPAC Name: 4-(3-methyl-2-morpholin-4-yl-1-benzothiophen-5-yl)-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonylbenzamide Traditional Name: 4-(3-methyl-2-morpholino-benzothiophen-5-yl)-N-[3-nitro-4-[2-(phenylthio)ethylamino]phenyl]sulfonyl-benzamide Formula: C34H32N4O6S3 MolecularWeight: 688.83608

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C=C(C=C2)C3=CC=C(C=C3)C(=O)NS(=O)(=O)C4=CC(=C(C=C4)NCCSC5=CC=CC=C5)[N+](=O)[O-])N6CCOCC6

Isomeric SMILES

CC1=C(SC2=C1C=C(C=C2)C3=CC=C(C=C3)C(=O)NS(=O)(=O)C4=CC(=C(C=C4)NCCSC5=CC=CC=C5)[N+](=O)[O-])N6CCOCC6

InChI

InChI=1S/C34H32N4O6S3/c1-23-29-21-26(11-14-32(29)46-34(23)37-16-18-44-19-17-37)24-7-9-25(10-8-24)33(39)36-47(42,43)28-12-13-30(31(22-28)38(40)41)35-15-20-45-27-5-3-2-4-6-27/h2-14,21-22,35H,15-20H2,1H3,(H,36,39)