N-(2-adamantyl)-4-[4-(dimethylsulfamoyl)piperazin-1-yl]-3-nitro-benzamide

Systemtic Name: N-(2-adamantyl)-4-[4-(dimethylsulfamoyl)piperazin-1-yl]-3-nitro-benzamide Openeye Name: N-(2-adamantyl)-4-[4-(dimethylsulfamoyl)piperazin-1-yl]-3-nitro-benzamide CAS Name: N-(2-adamantyl)-4-[4-(dimethylsulfamoyl)-1-piperazinyl]-3-nitrobenzamide IUPAC Name: N-(2-adamantyl)-4-[4-(dimethylsulfamoyl)piperazin-1-yl]-3-nitrobenzamide Traditional Name: N-(2-adamantyl)-4-[4-(dimethylsulfamoyl)piperazino]-3-nitro-benzamide Formula: C23H33N5O5S MolecularWeight: 491.60362

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H33N5O5S/c1-25(2)34(32,33)27-7-5-26(6-8-27)20-4-3-17(14-21(20)28(30)31)23(29)24-22-18-10-15-9-16(12-18)13-19(22)11-15/h3-4,14-16,18-19,22H,5-13H2,1-2H3,(H,24,29)