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

Systemtic Name: 3-methyl-5-[[4-[4-(3-methylpiperidin-1-yl)sulfonyl-2-nitro-phenyl]piperazin-1-yl]methyl]-1,2-oxazole Openeye Name: 3-methyl-5-[[4-[4-[(3-methyl-1-piperidyl)sulfonyl]-2-nitro-phenyl]piperazin-1-yl]methyl]isoxazole CAS Name: 3-methyl-5-[[4-[4-[(3-methyl-1-piperidinyl)sulfonyl]-2-nitrophenyl]-1-piperazinyl]methyl]isoxazole IUPAC Name: 3-methyl-5-[[4-[4-(3-methylpiperidin-1-yl)sulfonyl-2-nitrophenyl]piperazin-1-yl]methyl]-1,2-oxazole Traditional Name: 3-methyl-5-[[4-[4-(3-methylpiperidino)sulfonyl-2-nitro-phenyl]piperazino]methyl]isoxazole Formula: C21H29N5O5S MolecularWeight: 463.55046

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)N3CCN(CC3)CC4=CC(=NO4)C)[N+](=O)[O-]

Isomeric SMILES

CC1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)N3CCN(CC3)CC4=CC(=NO4)C)[N+](=O)[O-]

InChI

InChI=1S/C21H29N5O5S/c1-16-4-3-7-25(14-16)32(29,30)19-5-6-20(21(13-19)26(27)28)24-10-8-23(9-11-24)15-18-12-17(2)22-31-18/h5-6,12-13,16H,3-4,7-11,14-15H2,1-2H3