4-bromanyl-3-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]sulfonyl-benzoic acid

Systemtic Name: 4-bromanyl-3-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]sulfonyl-benzoic acid Openeye Name: 4-bromo-3-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]sulfonyl-benzoic acid CAS Name: 4-bromo-3-[[2-(4-ethoxyphenyl)-1-pyrrolidinyl]sulfonyl]benzoic acid IUPAC Name: 4-bromo-3-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]sulfonylbenzoic acid Traditional Name: 4-bromo-3-(2-p-phenetylpyrrolidino)sulfonyl-benzoic acid Formula: C19H20BrNO5S MolecularWeight: 454.3348

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2CCCN2S(=O)(=O)C3=C(C=CC(=C3)C(=O)O)Br

Isomeric SMILES

CCOC1=CC=C(C=C1)C2CCCN2S(=O)(=O)C3=C(C=CC(=C3)C(=O)O)Br

InChI

InChI=1S/C19H20BrNO5S/c1-2-26-15-8-5-13(6-9-15)17-4-3-11-21(17)27(24,25)18-12-14(19(22)23)7-10-16(18)20/h5-10,12,17H,2-4,11H2,1H3,(H,22,23)