4-butoxy-N-(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide

Systemtic Name: 4-butoxy-N-(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide Openeye Name: 4-butoxy-N-(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide CAS Name: 4-butoxy-N-(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide IUPAC Name: 4-butoxy-N-(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide Traditional Name: 4-butoxy-N-(2-mesyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide Formula: C21H26N2O4S MolecularWeight: 402.50714

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)NC2=CC3=C(CCN(C3)S(=O)(=O)C)C=C2

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)NC2=CC3=C(CCN(C3)S(=O)(=O)C)C=C2

InChI

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