methyl 3-[(3,3-dimethylbutanoylamino)methyl]-5-(quinolin-8-ylsulfonylamino)benzoate

Systemtic Name: methyl 3-[(3,3-dimethylbutanoylamino)methyl]-5-(quinolin-8-ylsulfonylamino)benzoate Openeye Name: methyl 3-[(3,3-dimethylbutanoylamino)methyl]-5-(8-quinolylsulfonylamino)benzoate CAS Name: 3-[[(3,3-dimethyl-1-oxobutyl)amino]methyl]-5-(8-quinolinylsulfonylamino)benzoic acid methyl ester IUPAC Name: methyl 3-[(3,3-dimethylbutanoylamino)methyl]-5-(quinolin-8-ylsulfonylamino)benzoate Traditional Name: 3-[(3,3-dimethylbutanoylamino)methyl]-5-(8-quinolylsulfonylamino)benzoic acid methyl ester Formula: C24H27N3O5S MolecularWeight: 469.55328

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(=O)NCC1=CC(=CC(=C1)C(=O)OC)NS(=O)(=O)C2=CC=CC3=C2N=CC=C3

Isomeric SMILES

CC(C)(C)CC(=O)NCC1=CC(=CC(=C1)C(=O)OC)NS(=O)(=O)C2=CC=CC3=C2N=CC=C3

InChI

InChI=1S/C24H27N3O5S/c1-24(2,3)14-21(28)26-15-16-11-18(23(29)32-4)13-19(12-16)27-33(30,31)20-9-5-7-17-8-6-10-25-22(17)20/h5-13,27H,14-15H2,1-4H3,(H,26,28)