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

Systemtic Name: 2-(4-chlorophenyl)sulfanyl-1-[4-(4-nitro-3-piperidin-1-yl-phenyl)piperazin-1-yl]ethanone Openeye Name: 2-(4-chlorophenyl)sulfanyl-1-[4-[4-nitro-3-(1-piperidyl)phenyl]piperazin-1-yl]ethanone CAS Name: 2-[(4-chlorophenyl)thio]-1-[4-[4-nitro-3-(1-piperidinyl)phenyl]-1-piperazinyl]ethanone IUPAC Name: 2-(4-chlorophenyl)sulfanyl-1-[4-(4-nitro-3-piperidin-1-ylphenyl)piperazin-1-yl]ethanone Traditional Name: 2-[(4-chlorophenyl)thio]-1-[4-(4-nitro-3-piperidino-phenyl)piperazino]ethanone Formula: C23H27ClN4O3S MolecularWeight: 475.00348

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=CC(=C2)N3CCN(CC3)C(=O)CSC4=CC=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=C(C=CC(=C2)N3CCN(CC3)C(=O)CSC4=CC=C(C=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C23H27ClN4O3S/c24-18-4-7-20(8-5-18)32-17-23(29)27-14-12-25(13-15-27)19-6-9-21(28(30)31)22(16-19)26-10-2-1-3-11-26/h4-9,16H,1-3,10-15,17H2