methyl 2-[[(4-tert-butylphenyl)sulfonyl-pentyl-amino]methyl]-1,3-oxazole-4-carboxylate

Systemtic Name: methyl 2-[[(4-tert-butylphenyl)sulfonyl-pentyl-amino]methyl]-1,3-oxazole-4-carboxylate Openeye Name: methyl 2-[[(4-tert-butylphenyl)sulfonyl-pentyl-amino]methyl]oxazole-4-carboxylate CAS Name: 2-[[(4-tert-butylphenyl)sulfonyl-pentylamino]methyl]-4-oxazolecarboxylic acid methyl ester IUPAC Name: methyl 2-[[(4-tert-butylphenyl)sulfonyl-pentylamino]methyl]-1,3-oxazole-4-carboxylate Traditional Name: 2-[[amyl-(4-tert-butylphenyl)sulfonyl-amino]methyl]oxazole-4-carboxylic acid methyl ester Formula: C21H30N2O5S MolecularWeight: 422.5383

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(CC1=NC(=CO1)C(=O)OC)S(=O)(=O)C2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

CCCCCN(CC1=NC(=CO1)C(=O)OC)S(=O)(=O)C2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C21H30N2O5S/c1-6-7-8-13-23(14-19-22-18(15-28-19)20(24)27-5)29(25,26)17-11-9-16(10-12-17)21(2,3)4/h9-12,15H,6-8,13-14H2,1-5H3