ethanedioic acid; 3-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]propanamide

Systemtic Name: ethanedioic acid; 3-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]propanamide Openeye Name: 3-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]propanamide; oxalic acid CAS Name: 3-[4-(3-fluorophenyl)sulfonyl-1-piperazinyl]propanamide; oxalic acid IUPAC Name: 3-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]propanamide; oxalic acid Traditional Name: 3-[4-(3-fluorophenyl)sulfonylpiperazino]propionamide; oxalic acid Formula: C15H20FN3O7S MolecularWeight: 405.398603

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC(=O)N)S(=O)(=O)C2=CC=CC(=C2)F.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCN1CCC(=O)N)S(=O)(=O)C2=CC=CC(=C2)F.C(=O)(C(=O)O)O

InChI

InChI=1S/C13H18FN3O3S.C2H2O4/c14-11-2-1-3-12(10-11)21(19,20)17-8-6-16(7-9-17)5-4-13(15)18;3-1(4)2(5)6/h1-3,10H,4-9H2,(H2,15,18);(H,3,4)(H,5,6)