6-[[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-yl]methyl]-1,3-benzodioxol-5-ol

Systemtic Name: 6-[[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-yl]methyl]-1,3-benzodioxol-5-ol Openeye Name: 6-[[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-yl]methyl]-1,3-benzodioxol-5-ol CAS Name: 6-[[4-(4-methoxy-3-nitrophenyl)sulfonyl-1-piperazinyl]methyl]-1,3-benzodioxol-5-ol IUPAC Name: 6-[[4-(4-methoxy-3-nitrophenyl)sulfonylpiperazin-1-yl]methyl]-1,3-benzodioxol-5-ol Traditional Name: 6-[[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazino]methyl]sesamol Formula: C19H21N3O8S MolecularWeight: 451.45034

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC4=C(C=C3O)OCO4)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC4=C(C=C3O)OCO4)[N+](=O)[O-]

InChI

InChI=1S/C19H21N3O8S/c1-28-17-3-2-14(9-15(17)22(24)25)31(26,27)21-6-4-20(5-7-21)11-13-8-18-19(10-16(13)23)30-12-29-18/h2-3,8-10,23H,4-7,11-12H2,1H3