N-[(5S,7R)-3-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]carbonyl-1-adamantyl]ethanamide

Systemtic Name: N-[(5S,7R)-3-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]carbonyl-1-adamantyl]ethanamide Openeye Name: N-[(5S,7R)-3-[4-(2-nitrophenyl)sulfonylpiperazine-1-carbonyl]-1-adamantyl]acetamide CAS Name: N-[(5S,7R)-3-[[4-(2-nitrophenyl)sulfonyl-1-piperazinyl]-oxomethyl]-1-adamantyl]acetamide IUPAC Name: N-[(5S,7R)-3-[4-(2-nitrophenyl)sulfonylpiperazine-1-carbonyl]-1-adamantyl]acetamide Traditional Name: N-[(5S,7R)-3-[4-(2-nitrophenyl)sulfonylpiperazine-1-carbonyl]-1-adamantyl]acetamide Formula: C23H30N4O6S MolecularWeight: 490.5725

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC12CC3CC(C1)CC(C3)(C2)C(=O)N4CCN(CC4)S(=O)(=O)C5=CC=CC=C5[N+](=O)[O-]

Isomeric SMILES

CC(=O)NC12C[C@@H]3C[C@H](C1)CC(C3)(C2)C(=O)N4CCN(CC4)S(=O)(=O)C5=CC=CC=C5[N+](=O)[O-]

InChI

InChI=1S/C23H30N4O6S/c1-16(28)24-23-13-17-10-18(14-23)12-22(11-17,15-23)21(29)25-6-8-26(9-7-25)34(32,33)20-5-3-2-4-19(20)27(30)31/h2-5,17-18H,6-15H2,1H3,(H,24,28)/t17-,18+,22?,23?