1-[(2,4-dimethoxyphenyl)methyl]-4-naphthalen-2-ylsulfonyl-piperazine; ethanedioic acid

Systemtic Name: 1-[(2,4-dimethoxyphenyl)methyl]-4-naphthalen-2-ylsulfonyl-piperazine; ethanedioic acid Openeye Name: 1-[(2,4-dimethoxyphenyl)methyl]-4-(2-naphthylsulfonyl)piperazine; oxalic acid CAS Name: 1-[(2,4-dimethoxyphenyl)methyl]-4-(2-naphthalenylsulfonyl)piperazine; oxalic acid IUPAC Name: 1-[(2,4-dimethoxyphenyl)methyl]-4-naphthalen-2-ylsulfonylpiperazine; oxalic acid Traditional Name: 1-(2,4-dimethoxybenzyl)-4-(2-naphthylsulfonyl)piperazine; oxalic acid Formula: C25H28N2O8S MolecularWeight: 516.56342

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26N2O4S.C2H2O4/c1-28-21-9-7-20(23(16-21)29-2)17-24-11-13-25(14-12-24)30(26,27)22-10-8-18-5-3-4-6-19(18)15-22;3-1(4)2(5)6/h3-10,15-16H,11-14,17H2,1-2H3;(H,3,4)(H,5,6)