2-(4-chlorophenyl)sulfanyl-1-[4-(3-morpholin-4-yl-4-nitro-phenyl)piperazin-1-yl]ethanone

Systemtic Name: 2-(4-chlorophenyl)sulfanyl-1-[4-(3-morpholin-4-yl-4-nitro-phenyl)piperazin-1-yl]ethanone Openeye Name: 2-(4-chlorophenyl)sulfanyl-1-[4-(3-morpholino-4-nitro-phenyl)piperazin-1-yl]ethanone CAS Name: 2-[(4-chlorophenyl)thio]-1-[4-[3-(4-morpholinyl)-4-nitrophenyl]-1-piperazinyl]ethanone IUPAC Name: 2-(4-chlorophenyl)sulfanyl-1-[4-(3-morpholin-4-yl-4-nitrophenyl)piperazin-1-yl]ethanone Traditional Name: 2-[(4-chlorophenyl)thio]-1-[4-(3-morpholino-4-nitro-phenyl)piperazino]ethanone Formula: C22H25ClN4O4S MolecularWeight: 476.9763

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC(=C(C=C2)[N+](=O)[O-])N3CCOCC3)C(=O)CSC4=CC=C(C=C4)Cl

Isomeric SMILES

C1CN(CCN1C2=CC(=C(C=C2)[N+](=O)[O-])N3CCOCC3)C(=O)CSC4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H25ClN4O4S/c23-17-1-4-19(5-2-17)32-16-22(28)26-9-7-24(8-10-26)18-3-6-20(27(29)30)21(15-18)25-11-13-31-14-12-25/h1-6,15H,7-14,16H2