ethyl 3-bromanyl-4-[2-(3-methoxyphenyl)pyrrolidin-1-yl]sulfonyl-benzoate

Systemtic Name: ethyl 3-bromanyl-4-[2-(3-methoxyphenyl)pyrrolidin-1-yl]sulfonyl-benzoate Openeye Name: ethyl 3-bromo-4-[2-(3-methoxyphenyl)pyrrolidin-1-yl]sulfonyl-benzoate CAS Name: 3-bromo-4-[[2-(3-methoxyphenyl)-1-pyrrolidinyl]sulfonyl]benzoic acid ethyl ester IUPAC Name: ethyl 3-bromo-4-[2-(3-methoxyphenyl)pyrrolidin-1-yl]sulfonylbenzoate Traditional Name: 3-bromo-4-[2-(3-methoxyphenyl)pyrrolidino]sulfonyl-benzoic acid ethyl ester Formula: C20H22BrNO5S MolecularWeight: 468.36138

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)S(=O)(=O)N2CCCC2C3=CC(=CC=C3)OC)Br

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)S(=O)(=O)N2CCCC2C3=CC(=CC=C3)OC)Br

InChI

InChI=1S/C20H22BrNO5S/c1-3-27-20(23)15-9-10-19(17(21)13-15)28(24,25)22-11-5-8-18(22)14-6-4-7-16(12-14)26-2/h4,6-7,9-10,12-13,18H,3,5,8,11H2,1-2H3