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

Systemtic Name: 4-morpholin-4-yl-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-benzamide Openeye Name: 4-morpholino-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-benzamide CAS Name: 4-(4-morpholinyl)-N-[3-nitro-4-[2-(phenylthio)ethylamino]phenyl]sulfonylbenzamide IUPAC Name: 4-morpholin-4-yl-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonylbenzamide Traditional Name: 4-morpholino-N-[3-nitro-4-[2-(phenylthio)ethylamino]phenyl]sulfonyl-benzamide Formula: C25H26N4O6S2 MolecularWeight: 542.62714

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=CC=C(C=C2)C(=O)NS(=O)(=O)C3=CC(=C(C=C3)NCCSC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1C2=CC=C(C=C2)C(=O)NS(=O)(=O)C3=CC(=C(C=C3)NCCSC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C25H26N4O6S2/c30-25(19-6-8-20(9-7-19)28-13-15-35-16-14-28)27-37(33,34)22-10-11-23(24(18-22)29(31)32)26-12-17-36-21-4-2-1-3-5-21/h1-11,18,26H,12-17H2,(H,27,30)