(2-methylquinolin-8-yl) 5-(azepan-1-ylsulfonyl)-2-methoxy-benzoate

Systemtic Name: (2-methylquinolin-8-yl) 5-(azepan-1-ylsulfonyl)-2-methoxy-benzoate Openeye Name: (2-methyl-8-quinolyl) 5-(azepan-1-ylsulfonyl)-2-methoxy-benzoate CAS Name: 5-(1-azepanylsulfonyl)-2-methoxybenzoic acid (2-methyl-8-quinolinyl) ester IUPAC Name: (2-methylquinolin-8-yl) 5-(azepan-1-ylsulfonyl)-2-methoxybenzoate Traditional Name: 5-(azepan-1-ylsulfonyl)-2-methoxy-benzoic acid (2-methyl-8-quinolyl) ester Formula: C24H26N2O5S MolecularWeight: 454.53864

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=CC=C2OC(=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCCCCC4)OC)C=C1

Isomeric SMILES

CC1=NC2=C(C=CC=C2OC(=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCCCCC4)OC)C=C1

InChI

InChI=1S/C24H26N2O5S/c1-17-10-11-18-8-7-9-22(23(18)25-17)31-24(27)20-16-19(12-13-21(20)30-2)32(28,29)26-14-5-3-4-6-15-26/h7-13,16H,3-6,14-15H2,1-2H3