ethyl 4-[[(2S)-4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl]methyl-methyl-sulfamoyl]benzoate

Systemtic Name: ethyl 4-[[(2S)-4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl]methyl-methyl-sulfamoyl]benzoate Openeye Name: ethyl 4-[[(2S)-4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl]methyl-methyl-sulfamoyl]benzoate CAS Name: 4-[[(2S)-4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl]methyl-methylsulfamoyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[(2S)-4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl]methyl-methylsulfamoyl]benzoate Traditional Name: 4-[[(2S)-4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl]methyl-methyl-sulfamoyl]benzoic acid ethyl ester Formula: C21H26N2O5S MolecularWeight: 418.50654

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CC(OC2=CC=CC=C21)CN(C)S(=O)(=O)C3=CC=C(C=C3)C(=O)OCC

Isomeric SMILES

CCN1C[C@H](OC2=CC=CC=C21)CN(C)S(=O)(=O)C3=CC=C(C=C3)C(=O)OCC

InChI

InChI=1S/C21H26N2O5S/c1-4-23-15-17(28-20-9-7-6-8-19(20)23)14-22(3)29(25,26)18-12-10-16(11-13-18)21(24)27-5-2/h6-13,17H,4-5,14-15H2,1-3H3/t17-/m1/s1