N-(2-adamantyl)-4-(4-methylsulfonylpiperazin-1-yl)-3-nitro-benzamide

Systemtic Name: N-(2-adamantyl)-4-(4-methylsulfonylpiperazin-1-yl)-3-nitro-benzamide Openeye Name: N-(2-adamantyl)-4-(4-methylsulfonylpiperazin-1-yl)-3-nitro-benzamide CAS Name: N-(2-adamantyl)-4-(4-methylsulfonyl-1-piperazinyl)-3-nitrobenzamide IUPAC Name: N-(2-adamantyl)-4-(4-methylsulfonylpiperazin-1-yl)-3-nitrobenzamide Traditional Name: N-(2-adamantyl)-4-(4-mesylpiperazino)-3-nitro-benzamide Formula: C22H30N4O5S MolecularWeight: 462.5624

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N4O5S/c1-32(30,31)25-6-4-24(5-7-25)19-3-2-16(13-20(19)26(28)29)22(27)23-21-17-9-14-8-15(11-17)12-18(21)10-14/h2-3,13-15,17-18,21H,4-12H2,1H3,(H,23,27)