[1-[(E)-prop-1-enyl]-4-(triphenylmethyl)sulfanyl-pyrrolidin-3-yl] methanesulfonate

Systemtic Name: [1-[(E)-prop-1-enyl]-4-(triphenylmethyl)sulfanyl-pyrrolidin-3-yl] methanesulfonate Openeye Name: [1-[(E)-prop-1-enyl]-4-tritylsulfanyl-pyrrolidin-3-yl] methanesulfonate CAS Name: methanesulfonic acid [1-[(E)-prop-1-enyl]-4-[(triphenylmethyl)thio]-3-pyrrolidinyl] ester IUPAC Name: [1-[(E)-prop-1-enyl]-4-tritylsulfanylpyrrolidin-3-yl] methanesulfonate Traditional Name: methanesulfonic acid [1-[(E)-prop-1-enyl]-4-(tritylthio)pyrrolidin-3-yl] ester Formula: C27H29NO3S2 MolecularWeight: 479.65406

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Descriptors Computed from Structure

Canonical SMILES:

CC=CN1CC(C(C1)SC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)OS(=O)(=O)C

Isomeric SMILES

C/C=C/N1CC(C(C1)SC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)OS(=O)(=O)C

InChI

InChI=1S/C27H29NO3S2/c1-3-19-28-20-25(31-33(2,29)30)26(21-28)32-27(22-13-7-4-8-14-22,23-15-9-5-10-16-23)24-17-11-6-12-18-24/h3-19,25-26H,20-21H2,1-2H3/b19-3+