3-fluoranyl-4-methoxy-N-[2-[4-(phenylmethyl)piperazin-1-yl]-2-pyridin-3-yl-ethyl]benzenesulfonamide

Systemtic Name: 3-fluoranyl-4-methoxy-N-[2-[4-(phenylmethyl)piperazin-1-yl]-2-pyridin-3-yl-ethyl]benzenesulfonamide Openeye Name: N-[2-(4-benzylpiperazin-1-yl)-2-(3-pyridyl)ethyl]-3-fluoro-4-methoxy-benzenesulfonamide CAS Name: 3-fluoro-4-methoxy-N-[2-[4-(phenylmethyl)-1-piperazinyl]-2-(3-pyridinyl)ethyl]benzenesulfonamide IUPAC Name: N-[2-(4-benzylpiperazin-1-yl)-2-pyridin-3-ylethyl]-3-fluoro-4-methoxybenzenesulfonamide Traditional Name: N-[2-(4-benzylpiperazino)-2-(3-pyridyl)ethyl]-3-fluoro-4-methoxy-benzenesulfonamide Formula: C25H29FN4O3S MolecularWeight: 484.586163

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)NCC(C2=CN=CC=C2)N3CCN(CC3)CC4=CC=CC=C4)F

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)NCC(C2=CN=CC=C2)N3CCN(CC3)CC4=CC=CC=C4)F

InChI

InChI=1S/C25H29FN4O3S/c1-33-25-10-9-22(16-23(25)26)34(31,32)28-18-24(21-8-5-11-27-17-21)30-14-12-29(13-15-30)19-20-6-3-2-4-7-20/h2-11,16-17,24,28H,12-15,18-19H2,1H3