4-methylsulfonyl-N-[3-(2-propoxyphenyl)propyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide

Systemtic Name: 4-methylsulfonyl-N-[3-(2-propoxyphenyl)propyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide Openeye Name: 4-methylsulfonyl-N-[3-(2-propoxyphenyl)propyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide CAS Name: 4-methylsulfonyl-N-[3-(2-propoxyphenyl)propyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide IUPAC Name: 4-methylsulfonyl-N-[3-(2-propoxyphenyl)propyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide Traditional Name: 4-mesyl-N-[3-(2-propoxyphenyl)propyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide Formula: C22H28N2O5S MolecularWeight: 432.53312

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC=C1CCCNC(=O)C2CN(C3=CC=CC=C3O2)S(=O)(=O)C

Isomeric SMILES

CCCOC1=CC=CC=C1CCCNC(=O)C2CN(C3=CC=CC=C3O2)S(=O)(=O)C

InChI

InChI=1S/C22H28N2O5S/c1-3-15-28-19-12-6-4-9-17(19)10-8-14-23-22(25)21-16-24(30(2,26)27)18-11-5-7-13-20(18)29-21/h4-7,9,11-13,21H,3,8,10,14-16H2,1-2H3,(H,23,25)