N-(1-adamantyl)-2-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]ethanamide

Systemtic Name: N-(1-adamantyl)-2-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]ethanamide Openeye Name: N-(1-adamantyl)-2-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]acetamide CAS Name: N-(1-adamantyl)-2-[4-(2-methyl-5-nitrophenyl)sulfonyl-1-piperazinyl]acetamide IUPAC Name: N-(1-adamantyl)-2-[4-(2-methyl-5-nitrophenyl)sulfonylpiperazin-1-yl]acetamide Traditional Name: N-(1-adamantyl)-2-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazino]acetamide Formula: C23H32N4O5S MolecularWeight: 476.58898

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCN(CC2)CC(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCN(CC2)CC(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C23H32N4O5S/c1-16-2-3-20(27(29)30)11-21(16)33(31,32)26-6-4-25(5-7-26)15-22(28)24-23-12-17-8-18(13-23)10-19(9-17)14-23/h2-3,11,17-19H,4-10,12-15H2,1H3,(H,24,28)