N-(2-cyclopropylcarbonyl-3,4-dihydro-1H-isoquinolin-7-yl)-4-ethoxy-3-methyl-benzenesulfonamide

Systemtic Name: N-(2-cyclopropylcarbonyl-3,4-dihydro-1H-isoquinolin-7-yl)-4-ethoxy-3-methyl-benzenesulfonamide Openeye Name: N-[2-(cyclopropanecarbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-4-ethoxy-3-methyl-benzenesulfonamide CAS Name: N-[2-[cyclopropyl(oxo)methyl]-3,4-dihydro-1H-isoquinolin-7-yl]-4-ethoxy-3-methylbenzenesulfonamide IUPAC Name: N-[2-(cyclopropanecarbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-4-ethoxy-3-methylbenzenesulfonamide Traditional Name: N-[2-(cyclopropanecarbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-4-ethoxy-3-methyl-benzenesulfonamide Formula: C22H26N2O4S MolecularWeight: 414.51784

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)S(=O)(=O)NC2=CC3=C(CCN(C3)C(=O)C4CC4)C=C2)C

Isomeric SMILES

CCOC1=C(C=C(C=C1)S(=O)(=O)NC2=CC3=C(CCN(C3)C(=O)C4CC4)C=C2)C

InChI

InChI=1S/C22H26N2O4S/c1-3-28-21-9-8-20(12-15(21)2)29(26,27)23-19-7-6-16-10-11-24(14-18(16)13-19)22(25)17-4-5-17/h6-9,12-13,17,23H,3-5,10-11,14H2,1-2H3