ethanedioic acid; 1-(naphthalen-1-ylmethyl)-4-propylsulfonyl-piperazine

Systemtic Name: ethanedioic acid; 1-(naphthalen-1-ylmethyl)-4-propylsulfonyl-piperazine Openeye Name: 1-(1-naphthylmethyl)-4-propylsulfonyl-piperazine; oxalic acid CAS Name: 1-(1-naphthalenylmethyl)-4-propylsulfonylpiperazine; oxalic acid IUPAC Name: 1-(naphthalen-1-ylmethyl)-4-propylsulfonylpiperazine; oxalic acid Traditional Name: 1-(1-naphthylmethyl)-4-propylsulfonyl-piperazine; oxalic acid Formula: C20H26N2O6S MolecularWeight: 422.49524

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)N1CCN(CC1)CC2=CC=CC3=CC=CC=C32.C(=O)(C(=O)O)O

Isomeric SMILES

CCCS(=O)(=O)N1CCN(CC1)CC2=CC=CC3=CC=CC=C32.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H24N2O2S.C2H2O4/c1-2-14-23(21,22)20-12-10-19(11-13-20)15-17-8-5-7-16-6-3-4-9-18(16)17;3-1(4)2(5)6/h3-9H,2,10-15H2,1H3;(H,3,4)(H,5,6)