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

Systemtic Name: ethanedioic acid; 1-[(4-ethylphenyl)methyl]-4-naphthalen-2-ylsulfonyl-piperazine Openeye Name: 1-[(4-ethylphenyl)methyl]-4-(2-naphthylsulfonyl)piperazine; oxalic acid CAS Name: 1-[(4-ethylphenyl)methyl]-4-(2-naphthalenylsulfonyl)piperazine; oxalic acid IUPAC Name: 1-[(4-ethylphenyl)methyl]-4-naphthalen-2-ylsulfonylpiperazine; oxalic acid Traditional Name: 1-(4-ethylbenzyl)-4-(2-naphthylsulfonyl)piperazine; oxalic acid Formula: C25H28N2O6S MolecularWeight: 484.56462

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CN2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3.C(=O)(C(=O)O)O

Isomeric SMILES

CCC1=CC=C(C=C1)CN2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C23H26N2O2S.C2H2O4/c1-2-19-7-9-20(10-8-19)18-24-13-15-25(16-14-24)28(26,27)23-12-11-21-5-3-4-6-22(21)17-23;3-1(4)2(5)6/h3-12,17H,2,13-16,18H2,1H3;(H,3,4)(H,5,6)