N-[(3-ethoxyphenyl)methyl]-4-(phenylmethyl)sulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide

Systemtic Name: N-[(3-ethoxyphenyl)methyl]-4-(phenylmethyl)sulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Openeye Name: 4-benzylsulfonyl-N-[(3-ethoxyphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide CAS Name: N-[(3-ethoxyphenyl)methyl]-4-(phenylmethyl)sulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide IUPAC Name: 4-benzylsulfonyl-N-[(3-ethoxyphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide Traditional Name: 4-benzylsulfonyl-N-(3-ethoxybenzyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide Formula: C25H26N2O5S MolecularWeight: 466.54934

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)CNC(=O)C2CN(C3=CC=CC=C3O2)S(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

CCOC1=CC=CC(=C1)CNC(=O)C2CN(C3=CC=CC=C3O2)S(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C25H26N2O5S/c1-2-31-21-12-8-11-20(15-21)16-26-25(28)24-17-27(22-13-6-7-14-23(22)32-24)33(29,30)18-19-9-4-3-5-10-19/h3-15,24H,2,16-18H2,1H3,(H,26,28)