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

Systemtic Name: ethanedioic acid; 1-[(2-ethoxyphenyl)methyl]-4-naphthalen-2-ylsulfonyl-piperazine Openeye Name: 1-[(2-ethoxyphenyl)methyl]-4-(2-naphthylsulfonyl)piperazine; oxalic acid CAS Name: 1-[(2-ethoxyphenyl)methyl]-4-(2-naphthalenylsulfonyl)piperazine; oxalic acid IUPAC Name: 1-[(2-ethoxyphenyl)methyl]-4-naphthalen-2-ylsulfonylpiperazine; oxalic acid Traditional Name: 1-(2-ethoxybenzyl)-4-(2-naphthylsulfonyl)piperazine; oxalic acid Formula: C25H28N2O7S MolecularWeight: 500.56402

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1CN2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3.C(=O)(C(=O)O)O

Isomeric SMILES

CCOC1=CC=CC=C1CN2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C23H26N2O3S.C2H2O4/c1-2-28-23-10-6-5-9-21(23)18-24-13-15-25(16-14-24)29(26,27)22-12-11-19-7-3-4-8-20(19)17-22;3-1(4)2(5)6/h3-12,17H,2,13-16,18H2,1H3;(H,3,4)(H,5,6)