methyl 7-[(4-tert-butylphenyl)sulfonylamino]-2-(phenylmethyl)-1,3-benzoxazole-5-carboxylate

Systemtic Name: methyl 7-[(4-tert-butylphenyl)sulfonylamino]-2-(phenylmethyl)-1,3-benzoxazole-5-carboxylate Openeye Name: methyl 2-benzyl-7-[(4-tert-butylphenyl)sulfonylamino]-1,3-benzoxazole-5-carboxylate CAS Name: 7-[(4-tert-butylphenyl)sulfonylamino]-2-(phenylmethyl)-1,3-benzoxazole-5-carboxylic acid methyl ester IUPAC Name: methyl 2-benzyl-7-[(4-tert-butylphenyl)sulfonylamino]-1,3-benzoxazole-5-carboxylate Traditional Name: 2-benzyl-7-[(4-tert-butylphenyl)sulfonylamino]-1,3-benzoxazole-5-carboxylic acid methyl ester Formula: C26H26N2O5S MolecularWeight: 478.56004

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NC2=CC(=CC3=C2OC(=N3)CC4=CC=CC=C4)C(=O)OC

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NC2=CC(=CC3=C2OC(=N3)CC4=CC=CC=C4)C(=O)OC

InChI

InChI=1S/C26H26N2O5S/c1-26(2,3)19-10-12-20(13-11-19)34(30,31)28-22-16-18(25(29)32-4)15-21-24(22)33-23(27-21)14-17-8-6-5-7-9-17/h5-13,15-16,28H,14H2,1-4H3