6-[2-(phenylmethoxymethyl)-4-sulfanyl-pyrrolidin-1-yl]sulfonyl-1H-3,1-benzoxazine-2,4-dione

Systemtic Name: 6-[2-(phenylmethoxymethyl)-4-sulfanyl-pyrrolidin-1-yl]sulfonyl-1H-3,1-benzoxazine-2,4-dione Openeye Name: 6-[2-(benzyloxymethyl)-4-sulfanyl-pyrrolidin-1-yl]sulfonyl-1H-3,1-benzoxazine-2,4-dione CAS Name: 6-[[4-mercapto-2-(phenylmethoxymethyl)-1-pyrrolidinyl]sulfonyl]-1H-3,1-benzoxazine-2,4-dione IUPAC Name: 6-[2-(phenylmethoxymethyl)-4-sulfanylpyrrolidin-1-yl]sulfonyl-1H-3,1-benzoxazine-2,4-dione Traditional Name: 6-[2-(benzoxymethyl)-4-mercapto-pyrrolidino]sulfonyl-1H-3,1-benzoxazine-2,4-quinone Formula: C20H20N2O6S2 MolecularWeight: 448.5126

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1COCC2=CC=CC=C2)S(=O)(=O)C3=CC4=C(C=C3)NC(=O)OC4=O)S

Isomeric SMILES

C1C(CN(C1COCC2=CC=CC=C2)S(=O)(=O)C3=CC4=C(C=C3)NC(=O)OC4=O)S

InChI

InChI=1S/C20H20N2O6S2/c23-19-17-9-16(6-7-18(17)21-20(24)28-19)30(25,26)22-10-15(29)8-14(22)12-27-11-13-4-2-1-3-5-13/h1-7,9,14-15,29H,8,10-12H2,(H,21,24)