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

Systemtic Name: N-(3-butylsulfanylpropyl)-2-(3-oxidanylidene-6-pyrrolidin-1-ylsulfonyl-1,4-benzoxazin-4-yl)ethanamide Openeye Name: N-(3-butylsulfanylpropyl)-2-(3-oxo-6-pyrrolidin-1-ylsulfonyl-1,4-benzoxazin-4-yl)acetamide CAS Name: N-[3-(butylthio)propyl]-2-[3-oxo-6-(1-pyrrolidinylsulfonyl)-1,4-benzoxazin-4-yl]acetamide IUPAC Name: N-(3-butylsulfanylpropyl)-2-(3-oxo-6-pyrrolidin-1-ylsulfonyl-1,4-benzoxazin-4-yl)acetamide Traditional Name: N-[3-(butylthio)propyl]-2-(3-keto-6-pyrrolidinosulfonyl-1,4-benzoxazin-4-yl)acetamide Formula: C21H31N3O5S2 MolecularWeight: 469.61794

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H31N3O5S2/c1-2-3-12-30-13-6-9-22-20(25)15-24-18-14-17(7-8-19(18)29-16-21(24)26)31(27,28)23-10-4-5-11-23/h7-8,14H,2-6,9-13,15-16H2,1H3,(H,22,25)