2-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-N,N-diethyl-3-methyl-1-benzofuran-5-sulfonamide

Systemtic Name: 2-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-N,N-diethyl-3-methyl-1-benzofuran-5-sulfonamide Openeye Name: 2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N,N-diethyl-3-methyl-benzofuran-5-sulfonamide CAS Name: 2-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]-N,N-diethyl-3-methyl-5-benzofuransulfonamide IUPAC Name: 2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N,N-diethyl-3-methyl-1-benzofuran-5-sulfonamide Traditional Name: 2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N,N-diethyl-3-methyl-benzofuran-5-sulfonamide Formula: C23H26N2O4S MolecularWeight: 426.52854

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC2=C(C=C1)OC(=C2C)C(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC2=C(C=C1)OC(=C2C)C(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C23H26N2O4S/c1-4-25(5-2)30(27,28)19-10-11-21-20(14-19)16(3)22(29-21)23(26)24-13-12-17-8-6-7-9-18(17)15-24/h6-11,14H,4-5,12-13,15H2,1-3H3