1-[3-(azepan-1-ylsulfonyl)phenyl]carbonyl-3,4-dihydro-2H-quinoline-5-carboxylic acid

Systemtic Name: 1-[3-(azepan-1-ylsulfonyl)phenyl]carbonyl-3,4-dihydro-2H-quinoline-5-carboxylic acid Openeye Name: 1-[3-(azepan-1-ylsulfonyl)benzoyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid CAS Name: 1-[[3-(1-azepanylsulfonyl)phenyl]-oxomethyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid IUPAC Name: 1-[3-(azepan-1-ylsulfonyl)benzoyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid Traditional Name: 1-[3-(azepan-1-ylsulfonyl)benzoyl]-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:

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)N3CCCC4=C(C=CC=C43)C(=O)O

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)N3CCCC4=C(C=CC=C43)C(=O)O

InChI

InChI=1S/C23H26N2O5S/c26-22(25-15-7-11-19-20(23(27)28)10-6-12-21(19)25)17-8-5-9-18(16-17)31(29,30)24-13-3-1-2-4-14-24/h5-6,8-10,12,16H,1-4,7,11,13-15H2,(H,27,28)