ethyl 4-[2-(2-nitrophenyl)sulfanylphenyl]carbonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-(2-nitrophenyl)sulfanylphenyl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[2-(2-nitrophenyl)sulfanylbenzoyl]piperazine-1-carboxylate CAS Name: 4-[[2-[(2-nitrophenyl)thio]phenyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(2-nitrophenyl)sulfanylbenzoyl]piperazine-1-carboxylate Traditional Name: 4-[2-[(2-nitrophenyl)thio]benzoyl]piperazine-1-carboxylic acid ethyl ester Formula: C20H21N3O5S MolecularWeight: 415.46284

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C2=CC=CC=C2SC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2=CC=CC=C2SC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C20H21N3O5S/c1-2-28-20(25)22-13-11-21(12-14-22)19(24)15-7-3-5-9-17(15)29-18-10-6-4-8-16(18)23(26)27/h3-10H,2,11-14H2,1H3