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

Systemtic Name: 2-ethoxy-N-[2-(2-methylpropanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]benzenesulfonamide Openeye Name: 2-ethoxy-N-[2-(2-methylpropanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]benzenesulfonamide CAS Name: 2-ethoxy-N-[2-(2-methyl-1-oxopropyl)-3,4-dihydro-1H-isoquinolin-7-yl]benzenesulfonamide IUPAC Name: 2-ethoxy-N-[2-(2-methylpropanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]benzenesulfonamide Traditional Name: 2-ethoxy-N-(2-isobutyryl-3,4-dihydro-1H-isoquinolin-7-yl)benzenesulfonamide Formula: C21H26N2O4S MolecularWeight: 402.50714

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1S(=O)(=O)NC2=CC3=C(CCN(C3)C(=O)C(C)C)C=C2

Isomeric SMILES

CCOC1=CC=CC=C1S(=O)(=O)NC2=CC3=C(CCN(C3)C(=O)C(C)C)C=C2

InChI

InChI=1S/C21H26N2O4S/c1-4-27-19-7-5-6-8-20(19)28(25,26)22-18-10-9-16-11-12-23(14-17(16)13-18)21(24)15(2)3/h5-10,13,15,22H,4,11-12,14H2,1-3H3