(2-bromanyl-5-pyrrolidin-1-ylsulfonyl-phenyl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone

Systemtic Name: (2-bromanyl-5-pyrrolidin-1-ylsulfonyl-phenyl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone Openeye Name: (2-bromo-5-pyrrolidin-1-ylsulfonyl-phenyl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone CAS Name: [2-bromo-5-(1-pyrrolidinylsulfonyl)phenyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone IUPAC Name: (2-bromo-5-pyrrolidin-1-ylsulfonylphenyl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone Traditional Name: (2-bromo-5-pyrrolidinosulfonyl-phenyl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone Formula: C20H21BrN2O3S MolecularWeight: 449.36134

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)Br)C(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)Br)C(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C20H21BrN2O3S/c21-19-8-7-17(27(25,26)23-10-3-4-11-23)13-18(19)20(24)22-12-9-15-5-1-2-6-16(15)14-22/h1-2,5-8,13H,3-4,9-12,14H2