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

Systemtic Name: N-[[1-[3-[(4-fluorophenyl)amino]propyl]piperidin-4-yl]methyl]isoquinoline-5-sulfonamide Openeye Name: N-[[1-[3-(4-fluoroanilino)propyl]-4-piperidyl]methyl]isoquinoline-5-sulfonamide CAS Name: N-[[1-[3-(4-fluoroanilino)propyl]-4-piperidinyl]methyl]-5-isoquinolinesulfonamide IUPAC Name: N-[[1-[3-(4-fluoroanilino)propyl]piperidin-4-yl]methyl]isoquinoline-5-sulfonamide Traditional Name: N-[[1-[3-(4-fluoroanilino)propyl]-4-piperidyl]methyl]isoquinoline-5-sulfonamide Formula: C24H29FN4O2S MolecularWeight: 456.576063

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CNS(=O)(=O)C2=CC=CC3=C2C=CN=C3)CCCNC4=CC=C(C=C4)F

Isomeric SMILES

C1CN(CCC1CNS(=O)(=O)C2=CC=CC3=C2C=CN=C3)CCCNC4=CC=C(C=C4)F

InChI

InChI=1S/C24H29FN4O2S/c25-21-5-7-22(8-6-21)27-12-2-14-29-15-10-19(11-16-29)17-28-32(30,31)24-4-1-3-20-18-26-13-9-23(20)24/h1,3-9,13,18-19,27-28H,2,10-12,14-17H2