(2-chloranyl-5-piperidin-1-ylsulfonyl-phenyl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone

Systemtic Name: (2-chloranyl-5-piperidin-1-ylsulfonyl-phenyl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone Openeye Name: [2-chloro-5-(1-piperidylsulfonyl)phenyl]-[4-(4-nitrophenyl)piperazin-1-yl]methanone CAS Name: [2-chloro-5-(1-piperidinylsulfonyl)phenyl]-[4-(4-nitrophenyl)-1-piperazinyl]methanone IUPAC Name: (2-chloro-5-piperidin-1-ylsulfonylphenyl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone Traditional Name: (2-chloro-5-piperidinosulfonyl-phenyl)-[4-(4-nitrophenyl)piperazino]methanone Formula: C22H25ClN4O5S MolecularWeight: 492.9757

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25ClN4O5S/c23-21-9-8-19(33(31,32)26-10-2-1-3-11-26)16-20(21)22(28)25-14-12-24(13-15-25)17-4-6-18(7-5-17)27(29)30/h4-9,16H,1-3,10-15H2