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

Systemtic Name: N,N-dimethyl-4-[4-[[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonylcarbamoyl]phenyl]piperazine-1-carboxamide Openeye Name: N,N-dimethyl-4-[4-[[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonylcarbamoyl]phenyl]piperazine-1-carboxamide CAS Name: N,N-dimethyl-4-[4-[[[3-nitro-4-[2-(phenylthio)ethylamino]phenyl]sulfonylamino]-oxomethyl]phenyl]-1-piperazinecarboxamide IUPAC Name: N,N-dimethyl-4-[4-[[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonylcarbamoyl]phenyl]piperazine-1-carboxamide Traditional Name: N,N-dimethyl-4-[4-[[3-nitro-4-[2-(phenylthio)ethylamino]phenyl]sulfonylcarbamoyl]phenyl]piperazine-1-carboxamide Formula: C28H32N6O6S2 MolecularWeight: 612.72028

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)N1CCN(CC1)C2=CC=C(C=C2)C(=O)NS(=O)(=O)C3=CC(=C(C=C3)NCCSC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CN(C)C(=O)N1CCN(CC1)C2=CC=C(C=C2)C(=O)NS(=O)(=O)C3=CC(=C(C=C3)NCCSC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C28H32N6O6S2/c1-31(2)28(36)33-17-15-32(16-18-33)22-10-8-21(9-11-22)27(35)30-42(39,40)24-12-13-25(26(20-24)34(37)38)29-14-19-41-23-6-4-3-5-7-23/h3-13,20,29H,14-19H2,1-2H3,(H,30,35)