4-(1-morpholin-4-ylcarbonyl-3,6-dihydro-2H-pyridin-4-yl)-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-benzamide

Systemtic Name: 4-(1-morpholin-4-ylcarbonyl-3,6-dihydro-2H-pyridin-4-yl)-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-benzamide Openeye Name: 4-[1-(morpholine-4-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-benzamide CAS Name: 4-[1-[4-morpholinyl(oxo)methyl]-3,6-dihydro-2H-pyridin-4-yl]-N-[3-nitro-4-[2-(phenylthio)ethylamino]phenyl]sulfonylbenzamide IUPAC Name: 4-[1-(morpholine-4-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonylbenzamide Traditional Name: 4-[1-(morpholine-4-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]-N-[3-nitro-4-[2-(phenylthio)ethylamino]phenyl]sulfonyl-benzamide Formula: C31H33N5O7S2 MolecularWeight: 651.75302

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC=C1C2=CC=C(C=C2)C(=O)NS(=O)(=O)C3=CC(=C(C=C3)NCCSC4=CC=CC=C4)[N+](=O)[O-])C(=O)N5CCOCC5

Isomeric SMILES

C1CN(CC=C1C2=CC=C(C=C2)C(=O)NS(=O)(=O)C3=CC(=C(C=C3)NCCSC4=CC=CC=C4)[N+](=O)[O-])C(=O)N5CCOCC5

InChI

InChI=1S/C31H33N5O7S2/c37-30(25-8-6-23(7-9-25)24-12-15-34(16-13-24)31(38)35-17-19-43-20-18-35)33-45(41,42)27-10-11-28(29(22-27)36(39)40)32-14-21-44-26-4-2-1-3-5-26/h1-12,22,32H,13-21H2,(H,33,37)