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

Systemtic Name: ethanedioic acid; 1-naphthalen-2-ylsulfonyl-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine Openeye Name: 1-(2-naphthylsulfonyl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine; oxalic acid CAS Name: 1-(2-naphthalenylsulfonyl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine; oxalic acid IUPAC Name: 1-naphthalen-2-ylsulfonyl-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine; oxalic acid Traditional Name: 1-(2-naphthylsulfonyl)-4-(2,3,4-trimethoxybenzyl)piperazine; oxalic acid Formula: C26H30N2O9S MolecularWeight: 546.5894

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)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)OC.C(=O)(C(=O)O)O

InChI

InChI=1S/C24H28N2O5S.C2H2O4/c1-29-22-11-9-20(23(30-2)24(22)31-3)17-25-12-14-26(15-13-25)32(27,28)21-10-8-18-6-4-5-7-19(18)16-21;3-1(4)2(5)6/h4-11,16H,12-15,17H2,1-3H3;(H,3,4)(H,5,6)