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

Systemtic Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide Openeye Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide CAS Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide IUPAC Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide Traditional Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-[1-(4-mesylphenyl)ethyl]benzamide Formula: C26H28N2O3S MolecularWeight: 448.57712

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)S(=O)(=O)C)NC(=O)C2=CC=C(C=C2)CN3CCC4=CC=CC=C4C3

Isomeric SMILES

CC(C1=CC=C(C=C1)S(=O)(=O)C)NC(=O)C2=CC=C(C=C2)CN3CCC4=CC=CC=C4C3

InChI

InChI=1S/C26H28N2O3S/c1-19(21-11-13-25(14-12-21)32(2,30)31)27-26(29)23-9-7-20(8-10-23)17-28-16-15-22-5-3-4-6-24(22)18-28/h3-14,19H,15-18H2,1-2H3,(H,27,29)