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

Systemtic Name: 1-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]carbonyl-3,4-dihydro-2H-quinoline-5-carboxylic acid Openeye Name: 1-[5-(azepan-1-ylsulfonyl)-2-methoxy-benzoyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid CAS Name: 1-[[5-(1-azepanylsulfonyl)-2-methoxyphenyl]-oxomethyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid IUPAC Name: 1-[5-(azepan-1-ylsulfonyl)-2-methoxybenzoyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid Traditional Name: 1-[5-(azepan-1-ylsulfonyl)-2-methoxy-benzoyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid Formula: C24H28N2O6S MolecularWeight: 472.55392

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)C(=O)N3CCCC4=C(C=CC=C43)C(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)C(=O)N3CCCC4=C(C=CC=C43)C(=O)O

InChI

InChI=1S/C24H28N2O6S/c1-32-22-12-11-17(33(30,31)25-13-4-2-3-5-14-25)16-20(22)23(27)26-15-7-9-18-19(24(28)29)8-6-10-21(18)26/h6,8,10-12,16H,2-5,7,9,13-15H2,1H3,(H,28,29)