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

Systemtic Name: 6-[1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxidanylidene-propan-2-yl]sulfanyl-N,N-diethyl-pyridine-3-sulfonamide Openeye Name: 6-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-methyl-2-oxo-ethyl]sulfanyl-N,N-diethyl-pyridine-3-sulfonamide CAS Name: 6-[[1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl]thio]-N,N-diethyl-3-pyridinesulfonamide IUPAC Name: 6-[1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl]sulfanyl-N,N-diethylpyridine-3-sulfonamide Traditional Name: 6-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-1-methyl-ethyl]thio]-N,N-diethyl-pyridine-3-sulfonamide Formula: C21H27N3O3S2 MolecularWeight: 433.58738

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CN=C(C=C1)SC(C)C(=O)N2CCC3=CC=CC=C3C2

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CN=C(C=C1)SC(C)C(=O)N2CCC3=CC=CC=C3C2

InChI

InChI=1S/C21H27N3O3S2/c1-4-24(5-2)29(26,27)19-10-11-20(22-14-19)28-16(3)21(25)23-13-12-17-8-6-7-9-18(17)15-23/h6-11,14,16H,4-5,12-13,15H2,1-3H3