N-[[1-[3-[(4-fluorophenyl)-methyl-amino]propyl]piperidin-4-yl]methyl]isoquinoline-5-sulfonamide

Systemtic Name: N-[[1-[3-[(4-fluorophenyl)-methyl-amino]propyl]piperidin-4-yl]methyl]isoquinoline-5-sulfonamide Openeye Name: N-[[1-[3-(4-fluoro-N-methyl-anilino)propyl]-4-piperidyl]methyl]isoquinoline-5-sulfonamide CAS Name: N-[[1-[3-(4-fluoro-N-methylanilino)propyl]-4-piperidinyl]methyl]-5-isoquinolinesulfonamide IUPAC Name: N-[[1-[3-(4-fluoro-N-methylanilino)propyl]piperidin-4-yl]methyl]isoquinoline-5-sulfonamide Traditional Name: N-[[1-[3-(4-fluoro-N-methyl-anilino)propyl]-4-piperidyl]methyl]isoquinoline-5-sulfonamide Formula: C25H31FN4O2S MolecularWeight: 470.602643

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCN1CCC(CC1)CNS(=O)(=O)C2=CC=CC3=C2C=CN=C3)C4=CC=C(C=C4)F

Isomeric SMILES

CN(CCCN1CCC(CC1)CNS(=O)(=O)C2=CC=CC3=C2C=CN=C3)C4=CC=C(C=C4)F

InChI

InChI=1S/C25H31FN4O2S/c1-29(23-8-6-22(26)7-9-23)14-3-15-30-16-11-20(12-17-30)18-28-33(31,32)25-5-2-4-21-19-27-13-10-24(21)25/h2,4-10,13,19-20,28H,3,11-12,14-18H2,1H3