4-ethylsulfonyl-N-[2-(propylcarbamoyl)phenyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide

Systemtic Name: 4-ethylsulfonyl-N-[2-(propylcarbamoyl)phenyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide Openeye Name: 4-ethylsulfonyl-N-[2-(propylcarbamoyl)phenyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide CAS Name: 4-ethylsulfonyl-N-[2-[oxo(propylamino)methyl]phenyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide IUPAC Name: 4-ethylsulfonyl-N-[2-(propylcarbamoyl)phenyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide Traditional Name: 4-esyl-N-[2-(propylcarbamoyl)phenyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide Formula: C21H25N3O5S MolecularWeight: 431.5053

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C1=CC=CC=C1NC(=O)C2CN(C3=CC=CC=C3O2)S(=O)(=O)CC

Isomeric SMILES

CCCNC(=O)C1=CC=CC=C1NC(=O)C2CN(C3=CC=CC=C3O2)S(=O)(=O)CC

InChI

InChI=1S/C21H25N3O5S/c1-3-13-22-20(25)15-9-5-6-10-16(15)23-21(26)19-14-24(30(27,28)4-2)17-11-7-8-12-18(17)29-19/h5-12,19H,3-4,13-14H2,1-2H3,(H,22,25)(H,23,26)