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

Systemtic Name: (2-bromanyl-5-pyrrolidin-1-ylsulfonyl-phenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone Openeye Name: (2-bromo-5-pyrrolidin-1-ylsulfonyl-phenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone CAS Name: [2-bromo-5-(1-pyrrolidinylsulfonyl)phenyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone IUPAC Name: (2-bromo-5-pyrrolidin-1-ylsulfonylphenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone Traditional Name: (2-bromo-5-pyrrolidinosulfonyl-phenyl)-(3,4-dihydro-2H-quinolin-1-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)N3CCCC4=CC=CC=C43

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)Br)C(=O)N3CCCC4=CC=CC=C43

InChI

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