4-butoxy-N-[2-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)ethyl]benzamide

Systemtic Name: 4-butoxy-N-[2-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)ethyl]benzamide Openeye Name: 4-butoxy-N-[2-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)ethyl]benzamide CAS Name: 4-butoxy-N-[2-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)ethyl]benzamide IUPAC Name: 4-butoxy-N-[2-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)ethyl]benzamide Traditional Name: 4-butoxy-N-[2-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)ethyl]benzamide Formula: C22H28N2O4S MolecularWeight: 416.53372

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)NCCS(=O)(=O)N2CCC3=CC=CC=C3C2

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)NCCS(=O)(=O)N2CCC3=CC=CC=C3C2

InChI

InChI=1S/C22H28N2O4S/c1-2-3-15-28-21-10-8-19(9-11-21)22(25)23-13-16-29(26,27)24-14-12-18-6-4-5-7-20(18)17-24/h4-11H,2-3,12-17H2,1H3,(H,23,25)