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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)N3CCN(CC3)CC4=C(ON=C4C)C)[N+](=O)[O-]

Isomeric SMILES

CC1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)N3CCN(CC3)CC4=C(ON=C4C)C)[N+](=O)[O-]

InChI

InChI=1S/C22H31N5O5S/c1-16-5-4-8-26(14-16)33(30,31)19-6-7-21(22(13-19)27(28)29)25-11-9-24(10-12-25)15-20-17(2)23-32-18(20)3/h6-7,13,16H,4-5,8-12,14-15H2,1-3H3