3-[(3-pyrrolidin-1-ylcarbonyl-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]benzenesulfonamide

Systemtic Name: 3-[(3-pyrrolidin-1-ylcarbonyl-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]benzenesulfonamide Openeye Name: 3-[[3-(pyrrolidine-1-carbonyl)-3,4-dihydro-1H-isoquinolin-2-yl]sulfonyl]benzenesulfonamide CAS Name: 3-[[3-[oxo(1-pyrrolidinyl)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]sulfonyl]benzenesulfonamide IUPAC Name: 3-[[3-(pyrrolidine-1-carbonyl)-3,4-dihydro-1H-isoquinolin-2-yl]sulfonyl]benzenesulfonamide Traditional Name: 3-[[3-(pyrrolidine-1-carbonyl)-3,4-dihydro-1H-isoquinolin-2-yl]sulfonyl]benzenesulfonamide Formula: C20H23N3O5S2 MolecularWeight: 449.54372

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2CC3=CC=CC=C3CN2S(=O)(=O)C4=CC(=CC=C4)S(=O)(=O)N

Isomeric SMILES

C1CCN(C1)C(=O)C2CC3=CC=CC=C3CN2S(=O)(=O)C4=CC(=CC=C4)S(=O)(=O)N

InChI

InChI=1S/C20H23N3O5S2/c21-29(25,26)17-8-5-9-18(13-17)30(27,28)23-14-16-7-2-1-6-15(16)12-19(23)20(24)22-10-3-4-11-22/h1-2,5-9,13,19H,3-4,10-12,14H2,(H2,21,25,26)