4-[3-(2-adamantylamino)-4-nitro-phenyl]-N,N-dimethyl-piperazine-1-sulfonamide

Systemtic Name: 4-[3-(2-adamantylamino)-4-nitro-phenyl]-N,N-dimethyl-piperazine-1-sulfonamide Openeye Name: 4-[3-(2-adamantylamino)-4-nitro-phenyl]-N,N-dimethyl-piperazine-1-sulfonamide CAS Name: 4-[3-(2-adamantylamino)-4-nitrophenyl]-N,N-dimethyl-1-piperazinesulfonamide IUPAC Name: 4-[3-(2-adamantylamino)-4-nitrophenyl]-N,N-dimethylpiperazine-1-sulfonamide Traditional Name: 4-[3-(2-adamantylamino)-4-nitro-phenyl]-N,N-dimethyl-piperazine-1-sulfonamide Formula: C22H33N5O4S MolecularWeight: 463.59352

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H33N5O4S/c1-24(2)32(30,31)26-7-5-25(6-8-26)19-3-4-21(27(28)29)20(14-19)23-22-17-10-15-9-16(12-17)13-18(22)11-15/h3-4,14-18,22-23H,5-13H2,1-2H3