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

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-ethylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-ethylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-ethylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-ethylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Traditional Name: 4-esyl-N-homoveratryl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Formula: C21H26N2O6S MolecularWeight: 434.50594

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CC(OC2=CC=CC=C21)C(=O)NCCC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CCS(=O)(=O)N1CC(OC2=CC=CC=C21)C(=O)NCCC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C21H26N2O6S/c1-4-30(25,26)23-14-20(29-17-8-6-5-7-16(17)23)21(24)22-12-11-15-9-10-18(27-2)19(13-15)28-3/h5-10,13,20H,4,11-12,14H2,1-3H3,(H,22,24)