1-(2-bromanyl-5-pyrrolidin-1-ylsulfonyl-phenyl)carbonyl-3,4-dihydro-2H-quinoline-5-carboxylic acid

Systemtic Name: 1-(2-bromanyl-5-pyrrolidin-1-ylsulfonyl-phenyl)carbonyl-3,4-dihydro-2H-quinoline-5-carboxylic acid Openeye Name: 1-(2-bromo-5-pyrrolidin-1-ylsulfonyl-benzoyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid CAS Name: 1-[[2-bromo-5-(1-pyrrolidinylsulfonyl)phenyl]-oxomethyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid IUPAC Name: 1-(2-bromo-5-pyrrolidin-1-ylsulfonylbenzoyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid Traditional Name: 1-(2-bromo-5-pyrrolidinosulfonyl-benzoyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid Formula: C21H21BrN2O5S MolecularWeight: 493.37084

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21BrN2O5S/c22-18-9-8-14(30(28,29)23-10-1-2-11-23)13-17(18)20(25)24-12-4-6-15-16(21(26)27)5-3-7-19(15)24/h3,5,7-9,13H,1-2,4,6,10-12H2,(H,26,27)