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

Systemtic Name: N-methyl-N-[[1-(phenylmethyl)piperidin-4-yl]methyl]isoquinoline-5-sulfonamide Openeye Name: N-[(1-benzyl-4-piperidyl)methyl]-N-methyl-isoquinoline-5-sulfonamide CAS Name: N-methyl-N-[[1-(phenylmethyl)-4-piperidinyl]methyl]-5-isoquinolinesulfonamide IUPAC Name: N-[(1-benzylpiperidin-4-yl)methyl]-N-methylisoquinoline-5-sulfonamide Traditional Name: N-[(1-benzyl-4-piperidyl)methyl]-N-methyl-isoquinoline-5-sulfonamide Formula: C23H27N3O2S MolecularWeight: 409.54438

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1CCN(CC1)CC2=CC=CC=C2)S(=O)(=O)C3=CC=CC4=C3C=CN=C4

Isomeric SMILES

CN(CC1CCN(CC1)CC2=CC=CC=C2)S(=O)(=O)C3=CC=CC4=C3C=CN=C4

InChI

InChI=1S/C23H27N3O2S/c1-25(29(27,28)23-9-5-8-21-16-24-13-10-22(21)23)17-20-11-14-26(15-12-20)18-19-6-3-2-4-7-19/h2-10,13,16,20H,11-12,14-15,17-18H2,1H3