4-(phenylmethyl)sulfonyl-N-(2,4,6-trimethylphenyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)NC(=O)C2CN(C3=CC=CC=C3O2)S(=O)(=O)CC4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)NC(=O)C2CN(C3=CC=CC=C3O2)S(=O)(=O)CC4=CC=CC=C4)C

InChI

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