N-(2-adamantyl)-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-3-nitro-benzamide

Systemtic Name: N-(2-adamantyl)-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-3-nitro-benzamide Openeye Name: N-(2-adamantyl)-3-nitro-4-[4-(p-tolylsulfonyl)piperazin-1-yl]benzamide CAS Name: N-(2-adamantyl)-4-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-3-nitrobenzamide IUPAC Name: N-(2-adamantyl)-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-3-nitrobenzamide Traditional Name: N-(2-adamantyl)-3-nitro-4-(4-tosylpiperazino)benzamide Formula: C28H34N4O5S MolecularWeight: 538.65836

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=C(C=C(C=C3)C(=O)NC4C5CC6CC(C5)CC4C6)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=C(C=C(C=C3)C(=O)NC4C5CC6CC(C5)CC4C6)[N+](=O)[O-]

InChI

InChI=1S/C28H34N4O5S/c1-18-2-5-24(6-3-18)38(36,37)31-10-8-30(9-11-31)25-7-4-21(17-26(25)32(34)35)28(33)29-27-22-13-19-12-20(15-22)16-23(27)14-19/h2-7,17,19-20,22-23,27H,8-16H2,1H3,(H,29,33)