N-fluoranyl-2-[4-(phenylmethyl)phenyl]-2-(3-propan-2-ylsulfonylpiperazin-1-yl)ethanamine

Systemtic Name: N-fluoranyl-2-[4-(phenylmethyl)phenyl]-2-(3-propan-2-ylsulfonylpiperazin-1-yl)ethanamine Openeye Name: 2-(4-benzylphenyl)-N-fluoro-2-(3-isopropylsulfonylpiperazin-1-yl)ethanamine CAS Name: N-fluoro-2-[4-(phenylmethyl)phenyl]-2-(3-propan-2-ylsulfonyl-1-piperazinyl)ethanamine IUPAC Name: 2-(4-benzylphenyl)-N-fluoro-2-(3-propan-2-ylsulfonylpiperazin-1-yl)ethanamine Traditional Name: [2-(4-benzylphenyl)-2-(3-isopropylsulfonylpiperazino)ethyl]-fluoro-amine Formula: C22H30FN3O2S MolecularWeight: 419.555903

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C1CN(CCN1)C(CNF)C2=CC=C(C=C2)CC3=CC=CC=C3

Isomeric SMILES

CC(C)S(=O)(=O)C1CN(CCN1)C(CNF)C2=CC=C(C=C2)CC3=CC=CC=C3

InChI

InChI=1S/C22H30FN3O2S/c1-17(2)29(27,28)22-16-26(13-12-24-22)21(15-25-23)20-10-8-19(9-11-20)14-18-6-4-3-5-7-18/h3-11,17,21-22,24-25H,12-16H2,1-2H3