2-(4-nitrophenyl)sulfanyl-1-(4-pyrrolidin-1-ylcarbonylpiperazin-1-yl)ethanone

Systemtic Name: 2-(4-nitrophenyl)sulfanyl-1-(4-pyrrolidin-1-ylcarbonylpiperazin-1-yl)ethanone Openeye Name: 2-(4-nitrophenyl)sulfanyl-1-[4-(pyrrolidine-1-carbonyl)piperazin-1-yl]ethanone CAS Name: 2-[(4-nitrophenyl)thio]-1-[4-[oxo(1-pyrrolidinyl)methyl]-1-piperazinyl]ethanone IUPAC Name: 2-(4-nitrophenyl)sulfanyl-1-[4-(pyrrolidine-1-carbonyl)piperazin-1-yl]ethanone Traditional Name: 2-[(4-nitrophenyl)thio]-1-[4-(pyrrolidine-1-carbonyl)piperazino]ethanone Formula: C17H22N4O4S MolecularWeight: 378.44598

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)N2CCN(CC2)C(=O)CSC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C(=O)N2CCN(CC2)C(=O)CSC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H22N4O4S/c22-16(13-26-15-5-3-14(4-6-15)21(24)25)18-9-11-20(12-10-18)17(23)19-7-1-2-8-19/h3-6H,1-2,7-13H2