(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl 2-[(4-ethoxyphenyl)sulfonylamino]benzoate

Systemtic Name: (3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl 2-[(4-ethoxyphenyl)sulfonylamino]benzoate Openeye Name: (3-isopropyl-1,2,4-oxadiazol-5-yl)methyl 2-[(4-ethoxyphenyl)sulfonylamino]benzoate CAS Name: 2-[(4-ethoxyphenyl)sulfonylamino]benzoic acid (3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl ester IUPAC Name: (3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl 2-[(4-ethoxyphenyl)sulfonylamino]benzoate Traditional Name: 2-(p-phenetylsulfonylamino)benzoic acid (3-isopropyl-1,2,4-oxadiazol-5-yl)methyl ester Formula: C21H23N3O6S MolecularWeight: 445.48882

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2C(=O)OCC3=NC(=NO3)C(C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2C(=O)OCC3=NC(=NO3)C(C)C

InChI

InChI=1S/C21H23N3O6S/c1-4-28-15-9-11-16(12-10-15)31(26,27)24-18-8-6-5-7-17(18)21(25)29-13-19-22-20(14(2)3)23-30-19/h5-12,14,24H,4,13H2,1-3H3