N-methyl-N-[[1-(3-phenoxypropyl)piperidin-4-yl]methyl]isoquinoline-5-sulfonamide

Systemtic Name: N-methyl-N-[[1-(3-phenoxypropyl)piperidin-4-yl]methyl]isoquinoline-5-sulfonamide Openeye Name: N-methyl-N-[[1-(3-phenoxypropyl)-4-piperidyl]methyl]isoquinoline-5-sulfonamide CAS Name: N-methyl-N-[[1-(3-phenoxypropyl)-4-piperidinyl]methyl]-5-isoquinolinesulfonamide IUPAC Name: N-methyl-N-[[1-(3-phenoxypropyl)piperidin-4-yl]methyl]isoquinoline-5-sulfonamide Traditional Name: N-methyl-N-[[1-(3-phenoxypropyl)-4-piperidyl]methyl]isoquinoline-5-sulfonamide Formula: C25H31N3O3S MolecularWeight: 453.59694

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1CCN(CC1)CCCOC2=CC=CC=C2)S(=O)(=O)C3=CC=CC4=C3C=CN=C4

Isomeric SMILES

CN(CC1CCN(CC1)CCCOC2=CC=CC=C2)S(=O)(=O)C3=CC=CC4=C3C=CN=C4

InChI

InChI=1S/C25H31N3O3S/c1-27(32(29,30)25-10-5-7-22-19-26-14-11-24(22)25)20-21-12-16-28(17-13-21)15-6-18-31-23-8-3-2-4-9-23/h2-5,7-11,14,19,21H,6,12-13,15-18,20H2,1H3