[4-(4-chloranyl-3-nitro-phenyl)piperazin-1-yl]-(5-methylsulfonyl-2-piperidin-1-yl-phenyl)methanone

Systemtic Name: [4-(4-chloranyl-3-nitro-phenyl)piperazin-1-yl]-(5-methylsulfonyl-2-piperidin-1-yl-phenyl)methanone Openeye Name: [4-(4-chloro-3-nitro-phenyl)piperazin-1-yl]-[5-methylsulfonyl-2-(1-piperidyl)phenyl]methanone CAS Name: [4-(4-chloro-3-nitrophenyl)-1-piperazinyl]-[5-methylsulfonyl-2-(1-piperidinyl)phenyl]methanone IUPAC Name: [4-(4-chloro-3-nitrophenyl)piperazin-1-yl]-(5-methylsulfonyl-2-piperidin-1-ylphenyl)methanone Traditional Name: [4-(4-chloro-3-nitro-phenyl)piperazino]-(5-mesyl-2-piperidino-phenyl)methanone Formula: C23H27ClN4O5S MolecularWeight: 507.00228

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)N2CCCCC2)C(=O)N3CCN(CC3)C4=CC(=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)N2CCCCC2)C(=O)N3CCN(CC3)C4=CC(=C(C=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C23H27ClN4O5S/c1-34(32,33)18-6-8-21(26-9-3-2-4-10-26)19(16-18)23(29)27-13-11-25(12-14-27)17-5-7-20(24)22(15-17)28(30)31/h5-8,15-16H,2-4,9-14H2,1H3