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

Systemtic Name: 1-adamantyl-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]methanone Openeye Name: 1-adamantyl-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]methanone CAS Name: 1-adamantyl-[4-(2-methyl-5-nitrophenyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: 1-adamantyl-[4-(2-methyl-5-nitrophenyl)sulfonylpiperazin-1-yl]methanone Traditional Name: 1-adamantyl-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazino]methanone Formula: C22H29N3O5S MolecularWeight: 447.54776

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCN(CC2)C(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCN(CC2)C(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C22H29N3O5S/c1-15-2-3-19(25(27)28)11-20(15)31(29,30)24-6-4-23(5-7-24)21(26)22-12-16-8-17(13-22)10-18(9-16)14-22/h2-3,11,16-18H,4-10,12-14H2,1H3