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

Systemtic Name: 3-[[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-yl]methyl]-1,3-benzoxazole-2-thione Openeye Name: 3-[[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-yl]methyl]-1,3-benzoxazole-2-thione CAS Name: 3-[[4-(4-methoxy-3-nitrophenyl)sulfonyl-1-piperazinyl]methyl]-1,3-benzoxazole-2-thione IUPAC Name: 3-[[4-(4-methoxy-3-nitrophenyl)sulfonylpiperazin-1-yl]methyl]-1,3-benzoxazole-2-thione Traditional Name: 3-[[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazino]methyl]-1,3-benzoxazole-2-thione Formula: C19H20N4O6S2 MolecularWeight: 464.5153

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)CN3C4=CC=CC=C4OC3=S)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)CN3C4=CC=CC=C4OC3=S)[N+](=O)[O-]

InChI

InChI=1S/C19H20N4O6S2/c1-28-17-7-6-14(12-16(17)23(24)25)31(26,27)21-10-8-20(9-11-21)13-22-15-4-2-3-5-18(15)29-19(22)30/h2-7,12H,8-11,13H2,1H3