N-[5-(4-ethylsulfonylpiperazin-1-yl)-2-nitro-phenyl]adamantan-2-amine

Systemtic Name: N-[5-(4-ethylsulfonylpiperazin-1-yl)-2-nitro-phenyl]adamantan-2-amine Openeye Name: N-[5-(4-ethylsulfonylpiperazin-1-yl)-2-nitro-phenyl]adamantan-2-amine CAS Name: N-[5-(4-ethylsulfonyl-1-piperazinyl)-2-nitrophenyl]-2-adamantanamine IUPAC Name: N-[5-(4-ethylsulfonylpiperazin-1-yl)-2-nitrophenyl]adamantan-2-amine Traditional Name: 2-adamantyl-[5-(4-esylpiperazino)-2-nitro-phenyl]amine Formula: C22H32N4O4S MolecularWeight: 448.57888

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])NC3C4CC5CC(C4)CC3C5

Isomeric SMILES

CCS(=O)(=O)N1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])NC3C4CC5CC(C4)CC3C5

InChI

InChI=1S/C22H32N4O4S/c1-2-31(29,30)25-7-5-24(6-8-25)19-3-4-21(26(27)28)20(14-19)23-22-17-10-15-9-16(12-17)13-18(22)11-15/h3-4,14-18,22-23H,2,5-13H2,1H3