4-[4-[[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonylcarbamoyl]phenyl]-N-phenethyl-piperazine-1-carboxamide

Systemtic Name: 4-[4-[[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonylcarbamoyl]phenyl]-N-phenethyl-piperazine-1-carboxamide Openeye Name: 4-[4-[[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonylcarbamoyl]phenyl]-N-phenethyl-piperazine-1-carboxamide CAS Name: 4-[4-[[[3-nitro-4-[2-(phenylthio)ethylamino]phenyl]sulfonylamino]-oxomethyl]phenyl]-N-phenethyl-1-piperazinecarboxamide IUPAC Name: 4-[4-[[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonylcarbamoyl]phenyl]-N-phenethylpiperazine-1-carboxamide Traditional Name: 4-[4-[[3-nitro-4-[2-(phenylthio)ethylamino]phenyl]sulfonylcarbamoyl]phenyl]-N-phenethyl-piperazine-1-carboxamide Formula: C34H36N6O6S2 MolecularWeight: 688.81624

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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-])C(=O)NCCC5=CC=CC=C5

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-])C(=O)NCCC5=CC=CC=C5

InChI

InChI=1S/C34H36N6O6S2/c41-33(37-48(45,46)30-15-16-31(32(25-30)40(43)44)35-19-24-47-29-9-5-2-6-10-29)27-11-13-28(14-12-27)38-20-22-39(23-21-38)34(42)36-18-17-26-7-3-1-4-8-26/h1-16,25,35H,17-24H2,(H,36,42)(H,37,41)