2-[4-bromanyl-1-(4-methylphenyl)sulfonyl-pyrrolidin-3-yl]oxyethyl 4-methylbenzenesulfonate

Systemtic Name: 2-[4-bromanyl-1-(4-methylphenyl)sulfonyl-pyrrolidin-3-yl]oxyethyl 4-methylbenzenesulfonate Openeye Name: 2-[4-bromo-1-(p-tolylsulfonyl)pyrrolidin-3-yl]oxyethyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 2-[[4-bromo-1-(4-methylphenyl)sulfonyl-3-pyrrolidinyl]oxy]ethyl ester IUPAC Name: 2-[4-bromo-1-(4-methylphenyl)sulfonylpyrrolidin-3-yl]oxyethyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 2-(4-bromo-1-tosyl-pyrrolidin-3-yl)oxyethyl ester Formula: C20H24BrNO6S2 MolecularWeight: 518.44166

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC(C(C2)Br)OCCOS(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC(C(C2)Br)OCCOS(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C20H24BrNO6S2/c1-15-3-7-17(8-4-15)29(23,24)22-13-19(21)20(14-22)27-11-12-28-30(25,26)18-9-5-16(2)6-10-18/h3-10,19-20H,11-14H2,1-2H3