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

Systemtic Name: 1-adamantyl-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]methanone Openeye Name: 1-adamantyl-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]methanone CAS Name: 1-adamantyl-[4-(3-nitrophenyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: 1-adamantyl-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]methanone Traditional Name: 1-adamantyl-[4-(3-nitrophenyl)sulfonylpiperazino]methanone Formula: C21H27N3O5S MolecularWeight: 433.52118

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O5S/c25-20(21-12-15-8-16(13-21)10-17(9-15)14-21)22-4-6-23(7-5-22)30(28,29)19-3-1-2-18(11-19)24(26)27/h1-3,11,15-17H,4-10,12-14H2