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

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

Click to see the large picture

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