3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[(2-fluorophenyl)methyl]-N-methyl-thiophene-2-carboxamide

Systemtic Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[(2-fluorophenyl)methyl]-N-methyl-thiophene-2-carboxamide Openeye Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[(2-fluorophenyl)methyl]-N-methyl-thiophene-2-carboxamide CAS Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[(2-fluorophenyl)methyl]-N-methyl-2-thiophenecarboxamide IUPAC Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[(2-fluorophenyl)methyl]-N-methylthiophene-2-carboxamide Traditional Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(2-fluorobenzyl)-N-methyl-thiophene-2-carboxamide Formula: C22H21FN2O3S2 MolecularWeight: 444.542143

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1F)C(=O)C2=C(C=CS2)S(=O)(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CN(CC1=CC=CC=C1F)C(=O)C2=C(C=CS2)S(=O)(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C22H21FN2O3S2/c1-24(14-18-8-4-5-9-19(18)23)22(26)21-20(11-13-29-21)30(27,28)25-12-10-16-6-2-3-7-17(16)15-25/h2-9,11,13H,10,12,14-15H2,1H3