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

Systemtic Name: N-[[1-[3-[(4-fluorophenyl)-methyl-amino]propyl]piperidin-4-yl]methyl]-N-methyl-isoquinoline-5-sulfonamide Openeye Name: N-[[1-[3-(4-fluoro-N-methyl-anilino)propyl]-4-piperidyl]methyl]-N-methyl-isoquinoline-5-sulfonamide CAS Name: N-[[1-[3-(4-fluoro-N-methylanilino)propyl]-4-piperidinyl]methyl]-N-methyl-5-isoquinolinesulfonamide IUPAC Name: N-[[1-[3-(4-fluoro-N-methylanilino)propyl]piperidin-4-yl]methyl]-N-methylisoquinoline-5-sulfonamide Traditional Name: N-[[1-[3-(4-fluoro-N-methyl-anilino)propyl]-4-piperidyl]methyl]-N-methyl-isoquinoline-5-sulfonamide Formula: C26H33FN4O2S MolecularWeight: 484.629223

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H33FN4O2S/c1-29(24-9-7-23(27)8-10-24)15-4-16-31-17-12-21(13-18-31)20-30(2)34(32,33)26-6-3-5-22-19-28-14-11-25(22)26/h3,5-11,14,19,21H,4,12-13,15-18,20H2,1-2H3