2-adamantyl-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]methanone

Systemtic Name: 2-adamantyl-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]methanone Openeye Name: 2-adamantyl-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]methanone CAS Name: 2-adamantyl-[4-(2-nitrophenyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: 2-adamantyl-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]methanone Traditional Name: 2-adamantyl-[4-(2-nitrophenyl)sulfonylpiperazino]methanone Formula: C21H27N3O5S MolecularWeight: 433.52118

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2C3CC4CC(C3)CC2C4)S(=O)(=O)C5=CC=CC=C5[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C(=O)C2C3CC4CC(C3)CC2C4)S(=O)(=O)C5=CC=CC=C5[N+](=O)[O-]

InChI

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