4-(1,4,4a,5,6,7,8,8a-octahydronaphthalen-2-yl)-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-benzamide

Systemtic Name: 4-(1,4,4a,5,6,7,8,8a-octahydronaphthalen-2-yl)-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-benzamide Openeye Name: 4-(1,4,4a,5,6,7,8,8a-octahydronaphthalen-2-yl)-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-benzamide CAS Name: 4-(1,4,4a,5,6,7,8,8a-octahydronaphthalen-2-yl)-N-[3-nitro-4-[2-(phenylthio)ethylamino]phenyl]sulfonylbenzamide IUPAC Name: 4-(1,4,4a,5,6,7,8,8a-octahydronaphthalen-2-yl)-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonylbenzamide Traditional Name: 4-(1,4,4a,5,6,7,8,8a-octahydronaphthalen-2-yl)-N-[3-nitro-4-[2-(phenylthio)ethylamino]phenyl]sulfonyl-benzamide Formula: C31H33N3O5S2 MolecularWeight: 591.74082

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2CC(=CCC2C1)C3=CC=C(C=C3)C(=O)NS(=O)(=O)C4=CC(=C(C=C4)NCCSC5=CC=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C1CCC2CC(=CCC2C1)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/C31H33N3O5S2/c35-31(24-13-10-23(11-14-24)26-15-12-22-6-4-5-7-25(22)20-26)33-41(38,39)28-16-17-29(30(21-28)34(36)37)32-18-19-40-27-8-2-1-3-9-27/h1-3,8-11,13-17,21-22,25,32H,4-7,12,18-20H2,(H,33,35)