4-[2-(1-propyl-5-sulfamoyl-benzimidazol-2-yl)sulfanylethanoyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide

Systemtic Name: 4-[2-(1-propyl-5-sulfamoyl-benzimidazol-2-yl)sulfanylethanoyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide Openeye Name: 4-[2-(1-propyl-5-sulfamoyl-benzimidazol-2-yl)sulfanylacetyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide CAS Name: 4-[1-oxo-2-[(1-propyl-5-sulfamoyl-2-benzimidazolyl)thio]ethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide IUPAC Name: 4-[2-(1-propyl-5-sulfamoylbenzimidazol-2-yl)sulfanylacetyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide Traditional Name: 4-[2-[(1-propyl-5-sulfamoyl-benzimidazol-2-yl)thio]acetyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide Formula: C21H23N5O5S2 MolecularWeight: 489.56782

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCC(=O)N3CC(OC4=CC=CC=C43)C(=O)N

Isomeric SMILES

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCC(=O)N3CC(OC4=CC=CC=C43)C(=O)N

InChI

InChI=1S/C21H23N5O5S2/c1-2-9-25-15-8-7-13(33(23,29)30)10-14(15)24-21(25)32-12-19(27)26-11-18(20(22)28)31-17-6-4-3-5-16(17)26/h3-8,10,18H,2,9,11-12H2,1H3,(H2,22,28)(H2,23,29,30)