phenyl 2-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]ethanesulfonate

Systemtic Name: phenyl 2-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]ethanesulfonate Openeye Name: phenyl 2-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]ethanesulfonate CAS Name: 2-[2-(4-ethoxyphenyl)-1-pyrrolidinyl]ethanesulfonic acid phenyl ester IUPAC Name: phenyl 2-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]ethanesulfonate Traditional Name: 2-(2-p-phenetylpyrrolidino)ethanesulfonic acid phenyl ester Formula: C20H25NO4S MolecularWeight: 375.4818

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2CCCN2CCS(=O)(=O)OC3=CC=CC=C3

Isomeric SMILES

CCOC1=CC=C(C=C1)C2CCCN2CCS(=O)(=O)OC3=CC=CC=C3

InChI

InChI=1S/C20H25NO4S/c1-2-24-18-12-10-17(11-13-18)20-9-6-14-21(20)15-16-26(22,23)25-19-7-4-3-5-8-19/h3-5,7-8,10-13,20H,2,6,9,14-16H2,1H3