(4-methoxyphenyl)methyl 2-[[(4-methoxyphenyl)methoxycarbonylsulfamoylamino]methyl]-4-(triphenylmethyl)sulfanyl-pyrrolidine-1-carboxylate

Systemtic Name: (4-methoxyphenyl)methyl 2-[[(4-methoxyphenyl)methoxycarbonylsulfamoylamino]methyl]-4-(triphenylmethyl)sulfanyl-pyrrolidine-1-carboxylate Openeye Name: (4-methoxyphenyl)methyl 2-[[(4-methoxyphenyl)methoxycarbonylsulfamoylamino]methyl]-4-tritylsulfanyl-pyrrolidine-1-carboxylate CAS Name: 2-[[[(4-methoxyphenyl)methoxy-oxomethyl]sulfamoylamino]methyl]-4-[(triphenylmethyl)thio]-1-pyrrolidinecarboxylic acid (4-methoxyphenyl)methyl ester IUPAC Name: (4-methoxyphenyl)methyl 2-[[(4-methoxyphenyl)methoxycarbonylsulfamoylamino]methyl]-4-tritylsulfanylpyrrolidine-1-carboxylate Traditional Name: 2-[(p-anisyloxycarbonylsulfamoylamino)methyl]-4-(tritylthio)pyrrolidine-1-carboxylic acid p-anisyl ester Formula: C42H43N3O8S2 MolecularWeight: 781.93612

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)COC(=O)NS(=O)(=O)NCC2CC(CN2C(=O)OCC3=CC=C(C=C3)OC)SC(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

COC1=CC=C(C=C1)COC(=O)NS(=O)(=O)NCC2CC(CN2C(=O)OCC3=CC=C(C=C3)OC)SC(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C42H43N3O8S2/c1-50-37-22-18-31(19-23-37)29-52-40(46)44-55(48,49)43-27-36-26-39(28-45(36)41(47)53-30-32-20-24-38(51-2)25-21-32)54-42(33-12-6-3-7-13-33,34-14-8-4-9-15-34)35-16-10-5-11-17-35/h3-25,36,39,43H,26-30H2,1-2H3,(H,44,46)