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

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(phenylmethyl)sulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Openeye Name: 4-benzylsulfonyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(phenylmethyl)sulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide IUPAC Name: 4-benzylsulfonyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide Traditional Name: 4-benzylsulfonyl-N-homoveratryl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Formula: C26H28N2O6S MolecularWeight: 496.57532

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)C2CN(C3=CC=CC=C3O2)S(=O)(=O)CC4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)C2CN(C3=CC=CC=C3O2)S(=O)(=O)CC4=CC=CC=C4)OC

InChI

InChI=1S/C26H28N2O6S/c1-32-23-13-12-19(16-24(23)33-2)14-15-27-26(29)25-17-28(21-10-6-7-11-22(21)34-25)35(30,31)18-20-8-4-3-5-9-20/h3-13,16,25H,14-15,17-18H2,1-2H3,(H,27,29)