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

Systemtic Name: 4-(2,2-diethoxyethyl)-3-[(4-methylsulfonylphenyl)methyl]-2-phenyl-2,3-dihydro-1,4-benzoxazine Openeye Name: 4-(2,2-diethoxyethyl)-3-[(4-methylsulfonylphenyl)methyl]-2-phenyl-2,3-dihydro-1,4-benzoxazine CAS Name: 4-(2,2-diethoxyethyl)-3-[(4-methylsulfonylphenyl)methyl]-2-phenyl-2,3-dihydro-1,4-benzoxazine IUPAC Name: 4-(2,2-diethoxyethyl)-3-[(4-methylsulfonylphenyl)methyl]-2-phenyl-2,3-dihydro-1,4-benzoxazine Traditional Name: 4-(2,2-diethoxyethyl)-3-(4-mesylbenzyl)-2-phenyl-2,3-dihydro-1,4-benzoxazine Formula: C28H33NO5S MolecularWeight: 495.63032

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(CN1C(C(OC2=CC=CC=C21)C3=CC=CC=C3)CC4=CC=C(C=C4)S(=O)(=O)C)OCC

Isomeric SMILES

CCOC(CN1C(C(OC2=CC=CC=C21)C3=CC=CC=C3)CC4=CC=C(C=C4)S(=O)(=O)C)OCC

InChI

InChI=1S/C28H33NO5S/c1-4-32-27(33-5-2)20-29-24-13-9-10-14-26(24)34-28(22-11-7-6-8-12-22)25(29)19-21-15-17-23(18-16-21)35(3,30)31/h6-18,25,27-28H,4-5,19-20H2,1-3H3