ethanedioic acid; 1-[(3-methoxyphenyl)methyl]-4-naphthalen-2-ylsulfonyl-piperazine

Systemtic Name: ethanedioic acid; 1-[(3-methoxyphenyl)methyl]-4-naphthalen-2-ylsulfonyl-piperazine Openeye Name: 1-[(3-methoxyphenyl)methyl]-4-(2-naphthylsulfonyl)piperazine; oxalic acid CAS Name: 1-[(3-methoxyphenyl)methyl]-4-(2-naphthalenylsulfonyl)piperazine; oxalic acid IUPAC Name: 1-[(3-methoxyphenyl)methyl]-4-naphthalen-2-ylsulfonylpiperazine; oxalic acid Traditional Name: 1-m-anisyl-4-(2-naphthylsulfonyl)piperazine; oxalic acid Formula: C24H26N2O7S MolecularWeight: 486.53744

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CN2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=CC=CC(=C1)CN2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C22H24N2O3S.C2H2O4/c1-27-21-8-4-5-18(15-21)17-23-11-13-24(14-12-23)28(25,26)22-10-9-19-6-2-3-7-20(19)16-22;3-1(4)2(5)6/h2-10,15-16H,11-14,17H2,1H3;(H,3,4)(H,5,6)