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

Systemtic Name: 1-[4-(azepan-1-ylsulfonyl)phenyl]carbonyl-3,4-dihydro-2H-quinoline-5-carboxylic acid Openeye Name: 1-[4-(azepan-1-ylsulfonyl)benzoyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid CAS Name: 1-[[4-(1-azepanylsulfonyl)phenyl]-oxomethyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid IUPAC Name: 1-[4-(azepan-1-ylsulfonyl)benzoyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid Traditional Name: 1-[4-(azepan-1-ylsulfonyl)benzoyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid Formula: C23H26N2O5S MolecularWeight: 442.52794

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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