4-ethoxy-3-methyl-N-[2-(2-methylpropanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]benzenesulfonamide

Systemtic Name: 4-ethoxy-3-methyl-N-[2-(2-methylpropanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]benzenesulfonamide Openeye Name: 4-ethoxy-3-methyl-N-[2-(2-methylpropanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]benzenesulfonamide CAS Name: 4-ethoxy-3-methyl-N-[2-(2-methyl-1-oxopropyl)-3,4-dihydro-1H-isoquinolin-7-yl]benzenesulfonamide IUPAC Name: 4-ethoxy-3-methyl-N-[2-(2-methylpropanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]benzenesulfonamide Traditional Name: 4-ethoxy-N-(2-isobutyryl-3,4-dihydro-1H-isoquinolin-7-yl)-3-methyl-benzenesulfonamide Formula: C22H28N2O4S MolecularWeight: 416.53372

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)S(=O)(=O)NC2=CC3=C(CCN(C3)C(=O)C(C)C)C=C2)C

Isomeric SMILES

CCOC1=C(C=C(C=C1)S(=O)(=O)NC2=CC3=C(CCN(C3)C(=O)C(C)C)C=C2)C

InChI

InChI=1S/C22H28N2O4S/c1-5-28-21-9-8-20(12-16(21)4)29(26,27)23-19-7-6-17-10-11-24(14-18(17)13-19)22(25)15(2)3/h6-9,12-13,15,23H,5,10-11,14H2,1-4H3