2,4,5-trimethyl-N-[2-(2-methylpropanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]benzenesulfonamide

Systemtic Name: 2,4,5-trimethyl-N-[2-(2-methylpropanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]benzenesulfonamide Openeye Name: 2,4,5-trimethyl-N-[2-(2-methylpropanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]benzenesulfonamide CAS Name: 2,4,5-trimethyl-N-[2-(2-methyl-1-oxopropyl)-3,4-dihydro-1H-isoquinolin-7-yl]benzenesulfonamide IUPAC Name: 2,4,5-trimethyl-N-[2-(2-methylpropanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]benzenesulfonamide Traditional Name: N-(2-isobutyryl-3,4-dihydro-1H-isoquinolin-7-yl)-2,4,5-trimethyl-benzenesulfonamide Formula: C22H28N2O3S MolecularWeight: 400.53432

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C)S(=O)(=O)NC2=CC3=C(CCN(C3)C(=O)C(C)C)C=C2)C

Isomeric SMILES

CC1=CC(=C(C=C1C)S(=O)(=O)NC2=CC3=C(CCN(C3)C(=O)C(C)C)C=C2)C

InChI

InChI=1S/C22H28N2O3S/c1-14(2)22(25)24-9-8-18-6-7-20(12-19(18)13-24)23-28(26,27)21-11-16(4)15(3)10-17(21)5/h6-7,10-12,14,23H,8-9,13H2,1-5H3