3-[3-phenyl-1-(3,4,5-trimethoxyphenyl)carbonyl-pyrrolidin-3-yl]propane-1-sulfonate

Systemtic Name: 3-[3-phenyl-1-(3,4,5-trimethoxyphenyl)carbonyl-pyrrolidin-3-yl]propane-1-sulfonate Openeye Name: 3-[3-phenyl-1-(3,4,5-trimethoxybenzoyl)pyrrolidin-3-yl]propane-1-sulfonate CAS Name: 3-[1-[oxo-(3,4,5-trimethoxyphenyl)methyl]-3-phenyl-3-pyrrolidinyl]-1-propanesulfonate IUPAC Name: 3-[3-phenyl-1-(3,4,5-trimethoxybenzoyl)pyrrolidin-3-yl]propane-1-sulfonate Traditional Name: 3-[3-phenyl-1-(3,4,5-trimethoxybenzoyl)pyrrolidin-3-yl]propane-1-sulfonate Formula: C23H28NO7S- MolecularWeight: 462.53592

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)N2CCC(C2)(CCCS(=O)(=O)[O-])C3=CC=CC=C3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)N2CCC(C2)(CCCS(=O)(=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C23H29NO7S/c1-29-19-14-17(15-20(30-2)21(19)31-3)22(25)24-12-11-23(16-24,10-7-13-32(26,27)28)18-8-5-4-6-9-18/h4-6,8-9,14-15H,7,10-13,16H2,1-3H3,(H,26,27,28)/p-1