N-[1-(4-methoxyphenyl)-3-(4-oxidanylidenepiperidin-1-yl)propan-2-yl]-N-methyl-isoquinoline-5-sulfonamide

Systemtic Name: N-[1-(4-methoxyphenyl)-3-(4-oxidanylidenepiperidin-1-yl)propan-2-yl]-N-methyl-isoquinoline-5-sulfonamide Openeye Name: N-[1-[(4-methoxyphenyl)methyl]-2-(4-oxo-1-piperidyl)ethyl]-N-methyl-isoquinoline-5-sulfonamide CAS Name: N-[1-(4-methoxyphenyl)-3-(4-oxo-1-piperidinyl)propan-2-yl]-N-methyl-5-isoquinolinesulfonamide IUPAC Name: N-[1-(4-methoxyphenyl)-3-(4-oxopiperidin-1-yl)propan-2-yl]-N-methylisoquinoline-5-sulfonamide Traditional Name: N-[1-[(4-ketopiperidino)methyl]-2-(4-methoxyphenyl)ethyl]-N-methyl-isoquinoline-5-sulfonamide Formula: C25H29N3O4S MolecularWeight: 467.58046

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(CC1=CC=C(C=C1)OC)CN2CCC(=O)CC2)S(=O)(=O)C3=CC=CC4=C3C=CN=C4

Isomeric SMILES

CN(C(CC1=CC=C(C=C1)OC)CN2CCC(=O)CC2)S(=O)(=O)C3=CC=CC4=C3C=CN=C4

InChI

InChI=1S/C25H29N3O4S/c1-27(33(30,31)25-5-3-4-20-17-26-13-10-24(20)25)21(18-28-14-11-22(29)12-15-28)16-19-6-8-23(32-2)9-7-19/h3-10,13,17,21H,11-12,14-16,18H2,1-2H3