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

Systemtic Name: ethanedioic acid; 1-[(3-methoxyphenyl)methyl]-4-(phenylsulfonyl)piperazine Openeye Name: 1-(benzenesulfonyl)-4-[(3-methoxyphenyl)methyl]piperazine; oxalic acid CAS Name: 1-(benzenesulfonyl)-4-[(3-methoxyphenyl)methyl]piperazine; oxalic acid IUPAC Name: 1-(benzenesulfonyl)-4-[(3-methoxyphenyl)methyl]piperazine; oxalic acid Traditional Name: 1-besyl-4-m-anisyl-piperazine; oxalic acid Formula: C20H24N2O7S MolecularWeight: 436.47876

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N2O3S.C2H2O4/c1-23-17-7-5-6-16(14-17)15-19-10-12-20(13-11-19)24(21,22)18-8-3-2-4-9-18;3-1(4)2(5)6/h2-9,14H,10-13,15H2,1H3;(H,3,4)(H,5,6)