(3,3-dimethyl-2-oxidanylidene-butyl) 2-chloranyl-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 2-chloranyl-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate CAS Name: 2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate Traditional Name: 2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C22H24ClNO5S MolecularWeight: 449.94766

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)COC(=O)C1=C(C=CC(=C1)S(=O)(=O)N2CCCC3=CC=CC=C32)Cl

Isomeric SMILES

CC(C)(C)C(=O)COC(=O)C1=C(C=CC(=C1)S(=O)(=O)N2CCCC3=CC=CC=C32)Cl

InChI

InChI=1S/C22H24ClNO5S/c1-22(2,3)20(25)14-29-21(26)17-13-16(10-11-18(17)23)30(27,28)24-12-6-8-15-7-4-5-9-19(15)24/h4-5,7,9-11,13H,6,8,12,14H2,1-3H3