4-ethylsulfonyl-N-(3-prop-2-enoxyphenyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide

Systemtic Name: 4-ethylsulfonyl-N-(3-prop-2-enoxyphenyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide Openeye Name: N-(3-allyloxyphenyl)-4-ethylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide CAS Name: 4-ethylsulfonyl-N-(3-prop-2-enoxyphenyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide IUPAC Name: 4-ethylsulfonyl-N-(3-prop-2-enoxyphenyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide Traditional Name: N-(3-allyloxyphenyl)-4-esyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Formula: C20H22N2O5S MolecularWeight: 402.46408

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CC(OC2=CC=CC=C21)C(=O)NC3=CC(=CC=C3)OCC=C

Isomeric SMILES

CCS(=O)(=O)N1CC(OC2=CC=CC=C21)C(=O)NC3=CC(=CC=C3)OCC=C

InChI

InChI=1S/C20H22N2O5S/c1-3-12-26-16-9-7-8-15(13-16)21-20(23)19-14-22(28(24,25)4-2)17-10-5-6-11-18(17)27-19/h3,5-11,13,19H,1,4,12,14H2,2H3,(H,21,23)