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

Systemtic Name: N-(2-adamantyl)-4-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-3-nitro-benzamide Openeye Name: N-(2-adamantyl)-4-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-3-nitro-benzamide CAS Name: N-(2-adamantyl)-4-[4-(4-fluorophenyl)sulfonyl-1-piperazinyl]-3-nitrobenzamide IUPAC Name: N-(2-adamantyl)-4-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-3-nitrobenzamide Traditional Name: N-(2-adamantyl)-4-[4-(4-fluorophenyl)sulfonylpiperazino]-3-nitro-benzamide Formula: C27H31FN4O5S MolecularWeight: 542.622243

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=C2)C(=O)NC3C4CC5CC(C4)CC3C5)[N+](=O)[O-])S(=O)(=O)C6=CC=C(C=C6)F

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)C(=O)NC3C4CC5CC(C4)CC3C5)[N+](=O)[O-])S(=O)(=O)C6=CC=C(C=C6)F

InChI

InChI=1S/C27H31FN4O5S/c28-22-2-4-23(5-3-22)38(36,37)31-9-7-30(8-10-31)24-6-1-19(16-25(24)32(34)35)27(33)29-26-20-12-17-11-18(14-20)15-21(26)13-17/h1-6,16-18,20-21,26H,7-15H2,(H,29,33)