N-methyl-N-[2-oxidanylidene-2-[4-(phenylmethyl)piperidin-1-yl]ethyl]isoquinoline-5-sulfonamide

Systemtic Name: N-methyl-N-[2-oxidanylidene-2-[4-(phenylmethyl)piperidin-1-yl]ethyl]isoquinoline-5-sulfonamide Openeye Name: N-[2-(4-benzyl-1-piperidyl)-2-oxo-ethyl]-N-methyl-isoquinoline-5-sulfonamide CAS Name: N-methyl-N-[2-oxo-2-[4-(phenylmethyl)-1-piperidinyl]ethyl]-5-isoquinolinesulfonamide IUPAC Name: N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-N-methylisoquinoline-5-sulfonamide Traditional Name: N-[2-(4-benzylpiperidino)-2-keto-ethyl]-N-methyl-isoquinoline-5-sulfonamide Formula: C24H27N3O3S MolecularWeight: 437.55448

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)N1CCC(CC1)CC2=CC=CC=C2)S(=O)(=O)C3=CC=CC4=C3C=CN=C4

Isomeric SMILES

CN(CC(=O)N1CCC(CC1)CC2=CC=CC=C2)S(=O)(=O)C3=CC=CC4=C3C=CN=C4

InChI

InChI=1S/C24H27N3O3S/c1-26(31(29,30)23-9-5-8-21-17-25-13-10-22(21)23)18-24(28)27-14-11-20(12-15-27)16-19-6-3-2-4-7-19/h2-10,13,17,20H,11-12,14-16,18H2,1H3