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

Systemtic Name: ethanedioic acid; 1-(3-phenylpropyl)-4-(phenylsulfonyl)piperazine Openeye Name: 1-(benzenesulfonyl)-4-(3-phenylpropyl)piperazine; oxalic acid CAS Name: 1-(benzenesulfonyl)-4-(3-phenylpropyl)piperazine; oxalic acid IUPAC Name: 1-(benzenesulfonyl)-4-(3-phenylpropyl)piperazine; oxalic acid Traditional Name: 1-besyl-4-(3-phenylpropyl)piperazine; oxalic acid Formula: C21H26N2O6S MolecularWeight: 434.50594

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCC2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCN1CCCC2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H24N2O2S.C2H2O4/c22-24(23,19-11-5-2-6-12-19)21-16-14-20(15-17-21)13-7-10-18-8-3-1-4-9-18;3-1(4)2(5)6/h1-6,8-9,11-12H,7,10,13-17H2;(H,3,4)(H,5,6)