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

Systemtic Name: ethanedioic acid; 1-[(3-ethoxy-4-methoxy-phenyl)methyl]-4-naphthalen-2-ylsulfonyl-piperazine Openeye Name: 1-[(3-ethoxy-4-methoxy-phenyl)methyl]-4-(2-naphthylsulfonyl)piperazine; oxalic acid CAS Name: 1-[(3-ethoxy-4-methoxyphenyl)methyl]-4-(2-naphthalenylsulfonyl)piperazine; oxalic acid IUPAC Name: 1-[(3-ethoxy-4-methoxyphenyl)methyl]-4-naphthalen-2-ylsulfonylpiperazine; oxalic acid Traditional Name: 1-(3-ethoxy-4-methoxy-benzyl)-4-(2-naphthylsulfonyl)piperazine; oxalic acid Formula: C26H30N2O8S MolecularWeight: 530.59

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)CN2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3)OC.C(=O)(C(=O)O)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)CN2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3)OC.C(=O)(C(=O)O)O

InChI

InChI=1S/C24H28N2O4S.C2H2O4/c1-3-30-24-16-19(8-11-23(24)29-2)18-25-12-14-26(15-13-25)31(27,28)22-10-9-20-6-4-5-7-21(20)17-22;3-1(4)2(5)6/h4-11,16-17H,3,12-15,18H2,1-2H3;(H,3,4)(H,5,6)