methyl 2-(4-phenoxyphenyl)sulfonyl-1-prop-2-ynyl-pyrrolidine-2-carboxylate

Systemtic Name: methyl 2-(4-phenoxyphenyl)sulfonyl-1-prop-2-ynyl-pyrrolidine-2-carboxylate Openeye Name: methyl 2-(4-phenoxyphenyl)sulfonyl-1-prop-2-ynyl-pyrrolidine-2-carboxylate CAS Name: 2-(4-phenoxyphenyl)sulfonyl-1-prop-2-ynyl-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl 2-(4-phenoxyphenyl)sulfonyl-1-prop-2-ynylpyrrolidine-2-carboxylate Traditional Name: 2-(4-phenoxyphenyl)sulfonyl-1-propargyl-pyrrolidine-2-carboxylic acid methyl ester Formula: C21H21NO5S MolecularWeight: 399.46014

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CCCN1CC#C)S(=O)(=O)C2=CC=C(C=C2)OC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1(CCCN1CC#C)S(=O)(=O)C2=CC=C(C=C2)OC3=CC=CC=C3

InChI

InChI=1S/C21H21NO5S/c1-3-15-22-16-7-14-21(22,20(23)26-2)28(24,25)19-12-10-18(11-13-19)27-17-8-5-4-6-9-17/h1,4-6,8-13H,7,14-16H2,2H3