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

Systemtic Name: 6-[2-(phenylmethoxymethyl)-4-(triphenylmethyl)sulfanyl-pyrrolidin-1-yl]sulfonyl-1H-3,1-benzoxazine-2,4-dione Openeye Name: 6-[2-(benzyloxymethyl)-4-tritylsulfanyl-pyrrolidin-1-yl]sulfonyl-1H-3,1-benzoxazine-2,4-dione CAS Name: 6-[[2-(phenylmethoxymethyl)-4-[(triphenylmethyl)thio]-1-pyrrolidinyl]sulfonyl]-1H-3,1-benzoxazine-2,4-dione IUPAC Name: 6-[2-(phenylmethoxymethyl)-4-tritylsulfanylpyrrolidin-1-yl]sulfonyl-1H-3,1-benzoxazine-2,4-dione Traditional Name: 6-[2-(benzoxymethyl)-4-(tritylthio)pyrrolidino]sulfonyl-1H-3,1-benzoxazine-2,4-quinone Formula: C39H34N2O6S2 MolecularWeight: 690.82706

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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)SC(C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7

Isomeric SMILES

C1C(CN(C1COCC2=CC=CC=C2)S(=O)(=O)C3=CC4=C(C=C3)NC(=O)OC4=O)SC(C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7

InChI

InChI=1S/C39H34N2O6S2/c42-37-35-24-34(21-22-36(35)40-38(43)47-37)49(44,45)41-25-33(23-32(41)27-46-26-28-13-5-1-6-14-28)48-39(29-15-7-2-8-16-29,30-17-9-3-10-18-30)31-19-11-4-12-20-31/h1-22,24,32-33H,23,25-27H2,(H,40,43)