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

Systemtic Name: 4-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-benzamide Openeye Name: 4-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-benzamide CAS Name: 4-[4-(3-fluorophenyl)sulfonyl-1-piperazinyl]-N-[3-nitro-4-[2-(phenylthio)ethylamino]phenyl]sulfonylbenzamide IUPAC Name: 4-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonylbenzamide Traditional Name: 4-[4-(3-fluorophenyl)sulfonylpiperazino]-N-[3-nitro-4-[2-(phenylthio)ethylamino]phenyl]sulfonyl-benzamide Formula: C31H30FN5O7S3 MolecularWeight: 699.792603

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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-])S(=O)(=O)C5=CC=CC(=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-])S(=O)(=O)C5=CC=CC(=C5)F

InChI

InChI=1S/C31H30FN5O7S3/c32-24-5-4-8-28(21-24)47(43,44)36-18-16-35(17-19-36)25-11-9-23(10-12-25)31(38)34-46(41,42)27-13-14-29(30(22-27)37(39)40)33-15-20-45-26-6-2-1-3-7-26/h1-14,21-22,33H,15-20H2,(H,34,38)