4-[4-(4-fluorophenyl)piperazin-1-yl]-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-benzamide

Systemtic Name: 4-[4-(4-fluorophenyl)piperazin-1-yl]-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-benzamide Openeye Name: 4-[4-(4-fluorophenyl)piperazin-1-yl]-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-benzamide CAS Name: 4-[4-(4-fluorophenyl)-1-piperazinyl]-N-[3-nitro-4-[2-(phenylthio)ethylamino]phenyl]sulfonylbenzamide IUPAC Name: 4-[4-(4-fluorophenyl)piperazin-1-yl]-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonylbenzamide Traditional Name: 4-[4-(4-fluorophenyl)piperazino]-N-[3-nitro-4-[2-(phenylthio)ethylamino]phenyl]sulfonyl-benzamide Formula: C31H30FN5O5S2 MolecularWeight: 635.728803

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)C(=O)NS(=O)(=O)C3=CC(=C(C=C3)NCCSC4=CC=CC=C4)[N+](=O)[O-])C5=CC=C(C=C5)F

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)C(=O)NS(=O)(=O)C3=CC(=C(C=C3)NCCSC4=CC=CC=C4)[N+](=O)[O-])C5=CC=C(C=C5)F

InChI

InChI=1S/C31H30FN5O5S2/c32-24-8-12-26(13-9-24)36-19-17-35(18-20-36)25-10-6-23(7-11-25)31(38)34-44(41,42)28-14-15-29(30(22-28)37(39)40)33-16-21-43-27-4-2-1-3-5-27/h1-15,22,33H,16-21H2,(H,34,38)