ethanedioic acid; 1-[(3-methoxyphenyl)methyl]-4-(phenylmethyl)sulfonyl-piperazine

Systemtic Name: ethanedioic acid; 1-[(3-methoxyphenyl)methyl]-4-(phenylmethyl)sulfonyl-piperazine Openeye Name: 1-benzylsulfonyl-4-[(3-methoxyphenyl)methyl]piperazine; oxalic acid CAS Name: 1-[(3-methoxyphenyl)methyl]-4-(phenylmethyl)sulfonylpiperazine; oxalic acid IUPAC Name: 1-benzylsulfonyl-4-[(3-methoxyphenyl)methyl]piperazine; oxalic acid Traditional Name: 1-benzylsulfonyl-4-m-anisyl-piperazine; oxalic acid Formula: C21H26N2O7S MolecularWeight: 450.50534

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CN2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=CC=CC(=C1)CN2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H24N2O3S.C2H2O4/c1-24-19-9-5-8-18(14-19)15-20-10-12-21(13-11-20)25(22,23)16-17-6-3-2-4-7-17;3-1(4)2(5)6/h2-9,14H,10-13,15-16H2,1H3;(H,3,4)(H,5,6)