4-[5-(2-azanylethyl)-2-fluoranyl-phenyl]sulfonylpiperazine-1-carbaldehyde

Systemtic Name: 4-[5-(2-azanylethyl)-2-fluoranyl-phenyl]sulfonylpiperazine-1-carbaldehyde Openeye Name: 4-[5-(2-aminoethyl)-2-fluoro-phenyl]sulfonylpiperazine-1-carbaldehyde CAS Name: 4-[5-(2-aminoethyl)-2-fluorophenyl]sulfonyl-1-piperazinecarboxaldehyde IUPAC Name: 4-[5-(2-aminoethyl)-2-fluorophenyl]sulfonylpiperazine-1-carbaldehyde Traditional Name: 4-[5-(2-aminoethyl)-2-fluoro-phenyl]sulfonylpiperazine-1-carbaldehyde Formula: C13H18FN3O3S MolecularWeight: 315.363723

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C=O)S(=O)(=O)C2=C(C=CC(=C2)CCN)F

Isomeric SMILES

C1CN(CCN1C=O)S(=O)(=O)C2=C(C=CC(=C2)CCN)F

InChI

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