(4-methylsulfonylphenyl)methyl N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate

Systemtic Name: (4-methylsulfonylphenyl)methyl N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate Openeye Name: (4-methylsulfonylphenyl)methyl N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate CAS Name: N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamic acid (4-methylsulfonylphenyl)methyl ester IUPAC Name: (4-methylsulfonylphenyl)methyl N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate Traditional Name: N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamic acid (4-mesylbenzyl) ester Formula: C23H26N4O5S MolecularWeight: 470.54134

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC2=C(C=C1)OCCN2CC3=CN=CN3)C(=O)OCC4=CC=C(C=C4)S(=O)(=O)C

Isomeric SMILES

CCN(C1=CC2=C(C=C1)OCCN2CC3=CN=CN3)C(=O)OCC4=CC=C(C=C4)S(=O)(=O)C

InChI

InChI=1S/C23H26N4O5S/c1-3-27(23(28)32-15-17-4-7-20(8-5-17)33(2,29)30)19-6-9-22-21(12-19)26(10-11-31-22)14-18-13-24-16-25-18/h4-9,12-13,16H,3,10-11,14-15H2,1-2H3,(H,24,25)