methyl 3-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]sulfonylbenzoate

Systemtic Name: methyl 3-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]sulfonylbenzoate Openeye Name: methyl 3-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]sulfonylbenzoate CAS Name: 3-[[2-(4-ethoxyphenyl)-1-pyrrolidinyl]sulfonyl]benzoic acid methyl ester IUPAC Name: methyl 3-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]sulfonylbenzoate Traditional Name: 3-(2-p-phenetylpyrrolidino)sulfonylbenzoic acid methyl ester Formula: C20H23NO5S MolecularWeight: 389.46532

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23NO5S/c1-3-26-17-11-9-15(10-12-17)19-8-5-13-21(19)27(23,24)18-7-4-6-16(14-18)20(22)25-2/h4,6-7,9-12,14,19H,3,5,8,13H2,1-2H3