2-(3-oxidanylidene-6-pyrrolidin-1-ylsulfonyl-1,4-benzoxazin-4-yl)-N-(3-propylsulfanylpropyl)ethanamide

Systemtic Name: 2-(3-oxidanylidene-6-pyrrolidin-1-ylsulfonyl-1,4-benzoxazin-4-yl)-N-(3-propylsulfanylpropyl)ethanamide Openeye Name: 2-(3-oxo-6-pyrrolidin-1-ylsulfonyl-1,4-benzoxazin-4-yl)-N-(3-propylsulfanylpropyl)acetamide CAS Name: 2-[3-oxo-6-(1-pyrrolidinylsulfonyl)-1,4-benzoxazin-4-yl]-N-[3-(propylthio)propyl]acetamide IUPAC Name: 2-(3-oxo-6-pyrrolidin-1-ylsulfonyl-1,4-benzoxazin-4-yl)-N-(3-propylsulfanylpropyl)acetamide Traditional Name: 2-(3-keto-6-pyrrolidinosulfonyl-1,4-benzoxazin-4-yl)-N-[3-(propylthio)propyl]acetamide Formula: C20H29N3O5S2 MolecularWeight: 455.59136

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Descriptors Computed from Structure

Canonical SMILES:

CCCSCCCNC(=O)CN1C(=O)COC2=C1C=C(C=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

CCCSCCCNC(=O)CN1C(=O)COC2=C1C=C(C=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C20H29N3O5S2/c1-2-11-29-12-5-8-21-19(24)14-23-17-13-16(6-7-18(17)28-15-20(23)25)30(26,27)22-9-3-4-10-22/h6-7,13H,2-5,8-12,14-15H2,1H3,(H,21,24)