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

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

CCC(C1(CCN(C1)C(=O)C2=CC(=C(C(=C2)OC)OC)OC)C3=CC=CC=C3)S(=O)(=O)[O-]

Isomeric SMILES

CCC(C1(CCN(C1)C(=O)C2=CC(=C(C(=C2)OC)OC)OC)C3=CC=CC=C3)S(=O)(=O)[O-]

InChI

InChI=1S/C23H29NO7S/c1-5-20(32(26,27)28)23(17-9-7-6-8-10-17)11-12-24(15-23)22(25)16-13-18(29-2)21(31-4)19(14-16)30-3/h6-10,13-14,20H,5,11-12,15H2,1-4H3,(H,26,27,28)/p-1