6-[[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]methyl]-1,3-benzodioxol-5-ol

Systemtic Name: 6-[[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]methyl]-1,3-benzodioxol-5-ol Openeye Name: 6-[[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]methyl]-1,3-benzodioxol-5-ol CAS Name: 6-[[4-(2-nitrophenyl)sulfonyl-1-piperazinyl]methyl]-1,3-benzodioxol-5-ol IUPAC Name: 6-[[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]methyl]-1,3-benzodioxol-5-ol Traditional Name: 6-[[4-(2-nitrophenyl)sulfonylpiperazino]methyl]sesamol Formula: C18H19N3O7S MolecularWeight: 421.42436

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2O)OCO3)S(=O)(=O)C4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2O)OCO3)S(=O)(=O)C4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C18H19N3O7S/c22-15-10-17-16(27-12-28-17)9-13(15)11-19-5-7-20(8-6-19)29(25,26)18-4-2-1-3-14(18)21(23)24/h1-4,9-10,22H,5-8,11-12H2