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

Systemtic Name: N-(1-adamantyl)-4-[4-(dimethylsulfamoyl)piperazin-1-yl]-3-nitro-benzamide Openeye Name: N-(1-adamantyl)-4-[4-(dimethylsulfamoyl)piperazin-1-yl]-3-nitro-benzamide CAS Name: N-(1-adamantyl)-4-[4-(dimethylsulfamoyl)-1-piperazinyl]-3-nitrobenzamide IUPAC Name: N-(1-adamantyl)-4-[4-(dimethylsulfamoyl)piperazin-1-yl]-3-nitrobenzamide Traditional Name: N-(1-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)NC34CC5CC(C3)CC(C5)C4)[N+](=O)[O-]

Isomeric SMILES

CN(C)S(=O)(=O)N1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC34CC5CC(C3)CC(C5)C4)[N+](=O)[O-]

InChI

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