3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-(2-bromanyl-5-pyrrolidin-1-ylsulfonyl-phenyl)methanone

Systemtic Name: 3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-(2-bromanyl-5-pyrrolidin-1-ylsulfonyl-phenyl)methanone Openeye Name: 3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-(2-bromo-5-pyrrolidin-1-ylsulfonyl-phenyl)methanone CAS Name: 3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-[2-bromo-5-(1-pyrrolidinylsulfonyl)phenyl]methanone IUPAC Name: 3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-(2-bromo-5-pyrrolidin-1-ylsulfonylphenyl)methanone Traditional Name: 3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-(2-bromo-5-pyrrolidinosulfonyl-phenyl)methanone Formula: C20H27BrN2O3S MolecularWeight: 455.40898

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2C(C1)CCCN2C(=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCCC4)Br

Isomeric SMILES

C1CCC2C(C1)CCCN2C(=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCCC4)Br

InChI

InChI=1S/C20H27BrN2O3S/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/h9-10,14-15,19H,1-8,11-13H2