4-(2,2-diethoxyethyl)-3-[(4-methylsulfonylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine

Systemtic Name: 4-(2,2-diethoxyethyl)-3-[(4-methylsulfonylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine Openeye Name: 4-(2,2-diethoxyethyl)-3-[(4-methylsulfonylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine CAS Name: 4-(2,2-diethoxyethyl)-3-[(4-methylsulfonylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine IUPAC Name: 4-(2,2-diethoxyethyl)-3-[(4-methylsulfonylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine Traditional Name: 4-(2,2-diethoxyethyl)-3-(4-mesylbenzyl)-2,3-dihydro-1,4-benzoxazine Formula: C22H29NO5S MolecularWeight: 419.53436

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(CN1C(COC2=CC=CC=C21)CC3=CC=C(C=C3)S(=O)(=O)C)OCC

Isomeric SMILES

CCOC(CN1C(COC2=CC=CC=C21)CC3=CC=C(C=C3)S(=O)(=O)C)OCC

InChI

InChI=1S/C22H29NO5S/c1-4-26-22(27-5-2)15-23-18(16-28-21-9-7-6-8-20(21)23)14-17-10-12-19(13-11-17)29(3,24)25/h6-13,18,22H,4-5,14-16H2,1-3H3