2,6-dimethoxy-4-[(4-methylsulfonylpiperazin-1-yl)methyl]phenol; ethanedioic acid

Systemtic Name: 2,6-dimethoxy-4-[(4-methylsulfonylpiperazin-1-yl)methyl]phenol; ethanedioic acid Openeye Name: 2,6-dimethoxy-4-[(4-methylsulfonylpiperazin-1-yl)methyl]phenol; oxalic acid CAS Name: 2,6-dimethoxy-4-[(4-methylsulfonyl-1-piperazinyl)methyl]phenol; oxalic acid IUPAC Name: 2,6-dimethoxy-4-[(4-methylsulfonylpiperazin-1-yl)methyl]phenol; oxalic acid Traditional Name: 4-[(4-mesylpiperazino)methyl]-2,6-dimethoxy-phenol; oxalic acid Formula: C16H24N2O9S MolecularWeight: 420.43476

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1O)OC)CN2CCN(CC2)S(=O)(=O)C.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=CC(=CC(=C1O)OC)CN2CCN(CC2)S(=O)(=O)C.C(=O)(C(=O)O)O

InChI

InChI=1S/C14H22N2O5S.C2H2O4/c1-20-12-8-11(9-13(21-2)14(12)17)10-15-4-6-16(7-5-15)22(3,18)19;3-1(4)2(5)6/h8-9,17H,4-7,10H2,1-3H3;(H,3,4)(H,5,6)