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

Systemtic Name: N-(2-adamantyl)-4-(4-ethylsulfonylpiperazin-1-yl)-3-nitro-benzamide Openeye Name: N-(2-adamantyl)-4-(4-ethylsulfonylpiperazin-1-yl)-3-nitro-benzamide CAS Name: N-(2-adamantyl)-4-(4-ethylsulfonyl-1-piperazinyl)-3-nitrobenzamide IUPAC Name: N-(2-adamantyl)-4-(4-ethylsulfonylpiperazin-1-yl)-3-nitrobenzamide Traditional Name: N-(2-adamantyl)-4-(4-esylpiperazino)-3-nitro-benzamide Formula: C23H32N4O5S MolecularWeight: 476.58898

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H32N4O5S/c1-2-33(31,32)26-7-5-25(6-8-26)20-4-3-17(14-21(20)27(29)30)23(28)24-22-18-10-15-9-16(12-18)13-19(22)11-15/h3-4,14-16,18-19,22H,2,5-13H2,1H3,(H,24,28)