(5-nitro-2-piperidin-1-yl-phenyl)-[4-(phenylsulfonyl)piperazin-1-yl]methanone

Systemtic Name: (5-nitro-2-piperidin-1-yl-phenyl)-[4-(phenylsulfonyl)piperazin-1-yl]methanone Openeye Name: [4-(benzenesulfonyl)piperazin-1-yl]-[5-nitro-2-(1-piperidyl)phenyl]methanone CAS Name: [4-(benzenesulfonyl)-1-piperazinyl]-[5-nitro-2-(1-piperidinyl)phenyl]methanone IUPAC Name: [4-(benzenesulfonyl)piperazin-1-yl]-(5-nitro-2-piperidin-1-ylphenyl)methanone Traditional Name: (4-besylpiperazino)-(5-nitro-2-piperidino-phenyl)methanone Formula: C22H26N4O5S MolecularWeight: 458.53064

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N4O5S/c27-22(20-17-18(26(28)29)9-10-21(20)23-11-5-2-6-12-23)24-13-15-25(16-14-24)32(30,31)19-7-3-1-4-8-19/h1,3-4,7-10,17H,2,5-6,11-16H2