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

Systemtic Name: 1-[(3,4-dimethoxyphenyl)methyl]-4-naphthalen-2-ylsulfonyl-piperazine; ethanedioic acid Openeye Name: 1-[(3,4-dimethoxyphenyl)methyl]-4-(2-naphthylsulfonyl)piperazine; oxalic acid CAS Name: 1-[(3,4-dimethoxyphenyl)methyl]-4-(2-naphthalenylsulfonyl)piperazine; oxalic acid IUPAC Name: 1-[(3,4-dimethoxyphenyl)methyl]-4-naphthalen-2-ylsulfonylpiperazine; oxalic acid Traditional Name: 1-(2-naphthylsulfonyl)-4-veratryl-piperazine; oxalic acid Formula: C25H28N2O8S MolecularWeight: 516.56342

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

COC1=C(C=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/c1-28-22-10-7-18(15-23(22)29-2)17-24-11-13-25(14-12-24)30(26,27)21-9-8-19-5-3-4-6-20(19)16-21;3-1(4)2(5)6/h3-10,15-16H,11-14,17H2,1-2H3;(H,3,4)(H,5,6)