6-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]sulfanyl-N,N-dimethyl-pyridine-3-sulfonamide

Systemtic Name: 6-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]sulfanyl-N,N-dimethyl-pyridine-3-sulfonamide Openeye Name: 6-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]sulfanyl-N,N-dimethyl-pyridine-3-sulfonamide CAS Name: 6-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]thio]-N,N-dimethyl-3-pyridinesulfonamide IUPAC Name: 6-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]sulfanyl-N,N-dimethylpyridine-3-sulfonamide Traditional Name: 6-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl]thio]-N,N-dimethyl-pyridine-3-sulfonamide Formula: C18H21N3O3S2 MolecularWeight: 391.50764

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CN=C(C=C1)SCC(=O)N2CCC3=CC=CC=C3C2

Isomeric SMILES

CN(C)S(=O)(=O)C1=CN=C(C=C1)SCC(=O)N2CCC3=CC=CC=C3C2

InChI

InChI=1S/C18H21N3O3S2/c1-20(2)26(23,24)16-7-8-17(19-11-16)25-13-18(22)21-10-9-14-5-3-4-6-15(14)12-21/h3-8,11H,9-10,12-13H2,1-2H3