ethanedioic acid; 1-[(3-phenoxyphenyl)methyl]-4-propylsulfonyl-piperazine

Systemtic Name: ethanedioic acid; 1-[(3-phenoxyphenyl)methyl]-4-propylsulfonyl-piperazine Openeye Name: oxalic acid; 1-[(3-phenoxyphenyl)methyl]-4-propylsulfonyl-piperazine CAS Name: oxalic acid; 1-[(3-phenoxyphenyl)methyl]-4-propylsulfonylpiperazine IUPAC Name: oxalic acid; 1-[(3-phenoxyphenyl)methyl]-4-propylsulfonylpiperazine Traditional Name: oxalic acid; 1-(3-phenoxybenzyl)-4-propylsulfonyl-piperazine Formula: C22H28N2O7S MolecularWeight: 464.53192

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)N1CCN(CC1)CC2=CC(=CC=C2)OC3=CC=CC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

CCCS(=O)(=O)N1CCN(CC1)CC2=CC(=CC=C2)OC3=CC=CC=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H26N2O3S.C2H2O4/c1-2-15-26(23,24)22-13-11-21(12-14-22)17-18-7-6-10-20(16-18)25-19-8-4-3-5-9-19;3-1(4)2(5)6/h3-10,16H,2,11-15,17H2,1H3;(H,3,4)(H,5,6)