methyl 2-[[3-methylbutyl(quinolin-8-ylsulfonyl)amino]methyl]-1,3-oxazole-4-carboxylate

Systemtic Name: methyl 2-[[3-methylbutyl(quinolin-8-ylsulfonyl)amino]methyl]-1,3-oxazole-4-carboxylate Openeye Name: methyl 2-[[isopentyl(8-quinolylsulfonyl)amino]methyl]oxazole-4-carboxylate CAS Name: 2-[[3-methylbutyl(8-quinolinylsulfonyl)amino]methyl]-4-oxazolecarboxylic acid methyl ester IUPAC Name: methyl 2-[[3-methylbutyl(quinolin-8-ylsulfonyl)amino]methyl]-1,3-oxazole-4-carboxylate Traditional Name: 2-[[isoamyl(8-quinolylsulfonyl)amino]methyl]oxazole-4-carboxylic acid methyl ester Formula: C20H23N3O5S MolecularWeight: 417.47872

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN(CC1=NC(=CO1)C(=O)OC)S(=O)(=O)C2=CC=CC3=C2N=CC=C3

Isomeric SMILES

CC(C)CCN(CC1=NC(=CO1)C(=O)OC)S(=O)(=O)C2=CC=CC3=C2N=CC=C3

InChI

InChI=1S/C20H23N3O5S/c1-14(2)9-11-23(12-18-22-16(13-28-18)20(24)27-3)29(25,26)17-8-4-6-15-7-5-10-21-19(15)17/h4-8,10,13-14H,9,11-12H2,1-3H3