ethanedioic acid; 1-(3-phenylpropyl)-4-propylsulfonyl-piperazine

Systemtic Name: ethanedioic acid; 1-(3-phenylpropyl)-4-propylsulfonyl-piperazine Openeye Name: oxalic acid; 1-(3-phenylpropyl)-4-propylsulfonyl-piperazine CAS Name: oxalic acid; 1-(3-phenylpropyl)-4-propylsulfonylpiperazine IUPAC Name: oxalic acid; 1-(3-phenylpropyl)-4-propylsulfonylpiperazine Traditional Name: oxalic acid; 1-(3-phenylpropyl)-4-propylsulfonyl-piperazine Formula: C18H28N2O6S MolecularWeight: 400.48972

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)N1CCN(CC1)CCCC2=CC=CC=C2.C(=O)(C(=O)O)O

Isomeric SMILES

CCCS(=O)(=O)N1CCN(CC1)CCCC2=CC=CC=C2.C(=O)(C(=O)O)O

InChI

InChI=1S/C16H26N2O2S.C2H2O4/c1-2-15-21(19,20)18-13-11-17(12-14-18)10-6-9-16-7-4-3-5-8-16;3-1(4)2(5)6/h3-5,7-8H,2,6,9-15H2,1H3;(H,3,4)(H,5,6)