3-[3-(2-oxidanylidene-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)propanoylamino]benzamide

Systemtic Name: 3-[3-(2-oxidanylidene-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)propanoylamino]benzamide Openeye Name: 3-[3-(2-oxo-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)propanoylamino]benzamide CAS Name: 3-[[1-oxo-3-[2-oxo-6-(1-pyrrolidinylsulfonyl)-1,3-benzoxazol-3-yl]propyl]amino]benzamide IUPAC Name: 3-[3-(2-oxo-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)propanoylamino]benzamide Traditional Name: 3-[3-(2-keto-6-pyrrolidinosulfonyl-1,3-benzoxazol-3-yl)propanoylamino]benzamide Formula: C21H22N4O6S MolecularWeight: 458.48758

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC3=C(C=C2)N(C(=O)O3)CCC(=O)NC4=CC=CC(=C4)C(=O)N

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC3=C(C=C2)N(C(=O)O3)CCC(=O)NC4=CC=CC(=C4)C(=O)N

InChI

InChI=1S/C21H22N4O6S/c22-20(27)14-4-3-5-15(12-14)23-19(26)8-11-25-17-7-6-16(13-18(17)31-21(25)28)32(29,30)24-9-1-2-10-24/h3-7,12-13H,1-2,8-11H2,(H2,22,27)(H,23,26)