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

Systemtic Name: N-[2-(butylcarbamoyl)phenyl]-4-ethylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Openeye Name: N-[2-(butylcarbamoyl)phenyl]-4-ethylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide CAS Name: N-[2-[butylamino(oxo)methyl]phenyl]-4-ethylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide IUPAC Name: N-[2-(butylcarbamoyl)phenyl]-4-ethylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Traditional Name: N-[2-(butylcarbamoyl)phenyl]-4-esyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Formula: C22H27N3O5S MolecularWeight: 445.53188

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O5S/c1-3-5-14-23-21(26)16-10-6-7-11-17(16)24-22(27)20-15-25(31(28,29)4-2)18-12-8-9-13-19(18)30-20/h6-13,20H,3-5,14-15H2,1-2H3,(H,23,26)(H,24,27)