1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazine

Systemtic Name: 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazine Openeye Name: 1-[(3-fluoro-4-methoxy-phenyl)methyl]-4-indan-5-ylsulfonyl-piperazine CAS Name: 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-[(3-fluoro-4-methoxyphenyl)methyl]piperazine IUPAC Name: 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-[(3-fluoro-4-methoxyphenyl)methyl]piperazine Traditional Name: 1-(3-fluoro-4-methoxy-benzyl)-4-indan-5-ylsulfonyl-piperazine Formula: C21H25FN2O3S MolecularWeight: 404.498203

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2CCN(CC2)S(=O)(=O)C3=CC4=C(CCC4)C=C3)F

Isomeric SMILES

COC1=C(C=C(C=C1)CN2CCN(CC2)S(=O)(=O)C3=CC4=C(CCC4)C=C3)F

InChI

InChI=1S/C21H25FN2O3S/c1-27-21-8-5-16(13-20(21)22)15-23-9-11-24(12-10-23)28(25,26)19-7-6-17-3-2-4-18(17)14-19/h5-8,13-14H,2-4,9-12,15H2,1H3