N-cyclopentyl-4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethoxy]benzenesulfonamide

Systemtic Name: N-cyclopentyl-4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethoxy]benzenesulfonamide Openeye Name: N-cyclopentyl-4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethoxy]benzenesulfonamide CAS Name: N-cyclopentyl-4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethoxy]benzenesulfonamide IUPAC Name: N-cyclopentyl-4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethoxy]benzenesulfonamide Traditional Name: N-cyclopentyl-4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethoxy]benzenesulfonamide Formula: C22H26N2O4S MolecularWeight: 414.51784

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NS(=O)(=O)C2=CC=C(C=C2)OCC(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

C1CCC(C1)NS(=O)(=O)C2=CC=C(C=C2)OCC(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C22H26N2O4S/c25-22(24-14-13-17-5-1-2-6-18(17)15-24)16-28-20-9-11-21(12-10-20)29(26,27)23-19-7-3-4-8-19/h1-2,5-6,9-12,19,23H,3-4,7-8,13-16H2