N-(2-ethyl-6-methyl-phenyl)-4-(phenylmethyl)sulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide

Systemtic Name: N-(2-ethyl-6-methyl-phenyl)-4-(phenylmethyl)sulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Openeye Name: 4-benzylsulfonyl-N-(2-ethyl-6-methyl-phenyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide CAS Name: N-(2-ethyl-6-methylphenyl)-4-(phenylmethyl)sulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide IUPAC Name: 4-benzylsulfonyl-N-(2-ethyl-6-methylphenyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide Traditional Name: 4-benzylsulfonyl-N-(2-ethyl-6-methyl-phenyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide Formula: C25H26N2O4S MolecularWeight: 450.54994

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)C2CN(C3=CC=CC=C3O2)S(=O)(=O)CC4=CC=CC=C4)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)C2CN(C3=CC=CC=C3O2)S(=O)(=O)CC4=CC=CC=C4)C

InChI

InChI=1S/C25H26N2O4S/c1-3-20-13-9-10-18(2)24(20)26-25(28)23-16-27(21-14-7-8-15-22(21)31-23)32(29,30)17-19-11-5-4-6-12-19/h4-15,23H,3,16-17H2,1-2H3,(H,26,28)