ethanedioic acid; 1-[4-(phenylsulfonyl)naphthalen-1-yl]piperazine

Systemtic Name: ethanedioic acid; 1-[4-(phenylsulfonyl)naphthalen-1-yl]piperazine Openeye Name: 1-[4-(benzenesulfonyl)-1-naphthyl]piperazine; oxalic acid CAS Name: 1-[4-(benzenesulfonyl)-1-naphthalenyl]piperazine; oxalic acid IUPAC Name: 1-[4-(benzenesulfonyl)naphthalen-1-yl]piperazine; oxalic acid Traditional Name: 1-(4-besyl-1-naphthyl)piperazine; oxalic acid Formula: C22H22N2O6S MolecularWeight: 442.48488

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=CC=C(C3=CC=CC=C32)S(=O)(=O)C4=CC=CC=C4.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCN1)C2=CC=C(C3=CC=CC=C32)S(=O)(=O)C4=CC=CC=C4.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H20N2O2S.C2H2O4/c23-25(24,16-6-2-1-3-7-16)20-11-10-19(22-14-12-21-13-15-22)17-8-4-5-9-18(17)20;3-1(4)2(5)6/h1-11,21H,12-15H2;(H,3,4)(H,5,6)