1-[3-(4-pyrrolidin-1-ylsulfonylphenyl)propanoyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid

Systemtic Name: 1-[3-(4-pyrrolidin-1-ylsulfonylphenyl)propanoyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid Openeye Name: 1-[3-(4-pyrrolidin-1-ylsulfonylphenyl)propanoyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid CAS Name: 1-[1-oxo-3-[4-(1-pyrrolidinylsulfonyl)phenyl]propyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid IUPAC Name: 1-[3-(4-pyrrolidin-1-ylsulfonylphenyl)propanoyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid Traditional Name: 1-[3-(4-pyrrolidinosulfonylphenyl)propanoyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid Formula: C23H26N2O5S MolecularWeight: 442.52794

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26N2O5S/c26-22(25-16-4-6-19-20(23(27)28)5-3-7-21(19)25)13-10-17-8-11-18(12-9-17)31(29,30)24-14-1-2-15-24/h3,5,7-9,11-12H,1-2,4,6,10,13-16H2,(H,27,28)