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

Systemtic Name: N-[1-(4-ethoxyphenyl)ethyl]-4-ethylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Openeye Name: N-[1-(4-ethoxyphenyl)ethyl]-4-ethylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide CAS Name: N-[1-(4-ethoxyphenyl)ethyl]-4-ethylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide IUPAC Name: N-[1-(4-ethoxyphenyl)ethyl]-4-ethylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Traditional Name: 4-esyl-N-(1-p-phenetylethyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide Formula: C21H26N2O5S MolecularWeight: 418.50654

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(C)NC(=O)C2CN(C3=CC=CC=C3O2)S(=O)(=O)CC

Isomeric SMILES

CCOC1=CC=C(C=C1)C(C)NC(=O)C2CN(C3=CC=CC=C3O2)S(=O)(=O)CC

InChI

InChI=1S/C21H26N2O5S/c1-4-27-17-12-10-16(11-13-17)15(3)22-21(24)20-14-23(29(25,26)5-2)18-8-6-7-9-19(18)28-20/h6-13,15,20H,4-5,14H2,1-3H3,(H,22,24)