2-chloranyl-5-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]sulfonyl-benzoic acid

Systemtic Name: 2-chloranyl-5-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]sulfonyl-benzoic acid Openeye Name: 2-chloro-5-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]sulfonyl-benzoic acid CAS Name: 2-chloro-5-[[2-(4-ethoxyphenyl)-1-pyrrolidinyl]sulfonyl]benzoic acid IUPAC Name: 2-chloro-5-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]sulfonylbenzoic acid Traditional Name: 2-chloro-5-(2-p-phenetylpyrrolidino)sulfonyl-benzoic acid Formula: C19H20ClNO5S MolecularWeight: 409.8838

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20ClNO5S/c1-2-26-14-7-5-13(6-8-14)18-4-3-11-21(18)27(24,25)15-9-10-17(20)16(12-15)19(22)23/h5-10,12,18H,2-4,11H2,1H3,(H,22,23)