ethyl 4-[4-[[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonylcarbamoyl]phenyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[4-[[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonylcarbamoyl]phenyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[4-[[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonylcarbamoyl]phenyl]piperazine-1-carboxylate CAS Name: 4-[4-[[[3-nitro-4-[2-(phenylthio)ethylamino]phenyl]sulfonylamino]-oxomethyl]phenyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-[[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonylcarbamoyl]phenyl]piperazine-1-carboxylate Traditional Name: 4-[4-[[3-nitro-4-[2-(phenylthio)ethylamino]phenyl]sulfonylcarbamoyl]phenyl]piperazine-1-carboxylic acid ethyl ester Formula: C28H31N5O7S2 MolecularWeight: 613.70504

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=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

CCOC(=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/C28H31N5O7S2/c1-2-40-28(35)32-17-15-31(16-18-32)22-10-8-21(9-11-22)27(34)30-42(38,39)24-12-13-25(26(20-24)33(36)37)29-14-19-41-23-6-4-3-5-7-23/h3-13,20,29H,2,14-19H2,1H3,(H,30,34)