(3-chloranyl-1-adamantyl)-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]methanone

Systemtic Name: (3-chloranyl-1-adamantyl)-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]methanone Openeye Name: (3-chloro-1-adamantyl)-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]methanone CAS Name: (3-chloro-1-adamantyl)-[4-(4-nitrophenyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: (3-chloro-1-adamantyl)-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]methanone Traditional Name: (3-chloro-1-adamantyl)-(4-nosylpiperazino)methanone Formula: C21H26ClN3O5S MolecularWeight: 467.96624

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C23CC4CC(C2)CC(C4)(C3)Cl)S(=O)(=O)C5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C(=O)C23CC4CC(C2)CC(C4)(C3)Cl)S(=O)(=O)C5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C21H26ClN3O5S/c22-21-12-15-9-16(13-21)11-20(10-15,14-21)19(26)23-5-7-24(8-6-23)31(29,30)18-3-1-17(2-4-18)25(27)28/h1-4,15-16H,5-14H2