[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonyl-phenyl]boronic acid

Systemtic Name: [2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonyl-phenyl]boronic acid Openeye Name: [2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonyl-phenyl]boronic acid CAS Name: [2-ethoxy-5-[(4-methyl-1-piperazinyl)sulfonyl]phenyl]boronic acid IUPAC Name: [2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]boronic acid Traditional Name: [2-ethoxy-5-(4-methylpiperazino)sulfonyl-phenyl]boronic acid Formula: C13H21BN2O5S MolecularWeight: 328.19224

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Descriptors Computed from Structure

Canonical SMILES:

B(C1=C(C=CC(=C1)S(=O)(=O)N2CCN(CC2)C)OCC)(O)O

Isomeric SMILES

B(C1=C(C=CC(=C1)S(=O)(=O)N2CCN(CC2)C)OCC)(O)O

InChI

InChI=1S/C13H21BN2O5S/c1-3-21-13-5-4-11(10-12(13)14(17)18)22(19,20)16-8-6-15(2)7-9-16/h4-5,10,17-18H,3,6-9H2,1-2H3