2-[[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]methyl]-1,3-benzoxazole

Systemtic Name: 2-[[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]methyl]-1,3-benzoxazole Openeye Name: 2-[[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]methyl]-1,3-benzoxazole CAS Name: 2-[[4-(2-methyl-5-nitrophenyl)sulfonyl-1-piperazinyl]methyl]-1,3-benzoxazole IUPAC Name: 2-[[4-(2-methyl-5-nitrophenyl)sulfonylpiperazin-1-yl]methyl]-1,3-benzoxazole Traditional Name: 2-[[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazino]methyl]-1,3-benzoxazole Formula: C19H20N4O5S MolecularWeight: 416.4509

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCN(CC2)CC3=NC4=CC=CC=C4O3

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCN(CC2)CC3=NC4=CC=CC=C4O3

InChI

InChI=1S/C19H20N4O5S/c1-14-6-7-15(23(24)25)12-18(14)29(26,27)22-10-8-21(9-11-22)13-19-20-16-4-2-3-5-17(16)28-19/h2-7,12H,8-11,13H2,1H3