3,5-dimethyl-4-[[4-[4-(4-methylpiperidin-1-yl)sulfonyl-2-nitro-phenyl]piperazin-1-yl]methyl]-1,2-oxazole

Systemtic Name: 3,5-dimethyl-4-[[4-[4-(4-methylpiperidin-1-yl)sulfonyl-2-nitro-phenyl]piperazin-1-yl]methyl]-1,2-oxazole Openeye Name: 3,5-dimethyl-4-[[4-[4-[(4-methyl-1-piperidyl)sulfonyl]-2-nitro-phenyl]piperazin-1-yl]methyl]isoxazole CAS Name: 3,5-dimethyl-4-[[4-[4-[(4-methyl-1-piperidinyl)sulfonyl]-2-nitrophenyl]-1-piperazinyl]methyl]isoxazole IUPAC Name: 3,5-dimethyl-4-[[4-[4-(4-methylpiperidin-1-yl)sulfonyl-2-nitrophenyl]piperazin-1-yl]methyl]-1,2-oxazole Traditional Name: 3,5-dimethyl-4-[[4-[4-(4-methylpiperidino)sulfonyl-2-nitro-phenyl]piperazino]methyl]isoxazole Formula: C22H31N5O5S MolecularWeight: 477.57704

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N3CCN(CC3)CC4=C(ON=C4C)C)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N3CCN(CC3)CC4=C(ON=C4C)C)[N+](=O)[O-]

InChI

InChI=1S/C22H31N5O5S/c1-16-6-8-26(9-7-16)33(30,31)19-4-5-21(22(14-19)27(28)29)25-12-10-24(11-13-25)15-20-17(2)23-32-18(20)3/h4-5,14,16H,6-13,15H2,1-3H3