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

Systemtic Name: N-[1-(2,4-dimethylphenyl)ethyl]-4-(phenylmethyl)sulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Openeye Name: 4-benzylsulfonyl-N-[1-(2,4-dimethylphenyl)ethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide CAS Name: N-[1-(2,4-dimethylphenyl)ethyl]-4-(phenylmethyl)sulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide IUPAC Name: 4-benzylsulfonyl-N-[1-(2,4-dimethylphenyl)ethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide Traditional Name: 4-benzylsulfonyl-N-[1-(2,4-dimethylphenyl)ethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide Formula: C26H28N2O4S MolecularWeight: 464.57652

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H28N2O4S/c1-18-13-14-22(19(2)15-18)20(3)27-26(29)25-16-28(23-11-7-8-12-24(23)32-25)33(30,31)17-21-9-5-4-6-10-21/h4-15,20,25H,16-17H2,1-3H3,(H,27,29)