tert-butyl 2-[2-[5-(4-pyrrolidin-1-ylsulfonylphenoxy)pyridin-3-yl]ethynyl]pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl 2-[2-[5-(4-pyrrolidin-1-ylsulfonylphenoxy)pyridin-3-yl]ethynyl]pyrrolidine-1-carboxylate Openeye Name: tert-butyl 2-[2-[5-(4-pyrrolidin-1-ylsulfonylphenoxy)-3-pyridyl]ethynyl]pyrrolidine-1-carboxylate CAS Name: 2-[2-[5-[4-(1-pyrrolidinylsulfonyl)phenoxy]-3-pyridinyl]ethynyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-[2-[5-(4-pyrrolidin-1-ylsulfonylphenoxy)pyridin-3-yl]ethynyl]pyrrolidine-1-carboxylate Traditional Name: 2-[2-[5-(4-pyrrolidinosulfonylphenoxy)-3-pyridyl]ethynyl]pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C26H31N3O5S MolecularWeight: 497.60644

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC1C#CC2=CC(=CN=C2)OC3=CC=C(C=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCC1C#CC2=CC(=CN=C2)OC3=CC=C(C=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C26H31N3O5S/c1-26(2,3)34-25(30)29-16-6-7-21(29)9-8-20-17-23(19-27-18-20)33-22-10-12-24(13-11-22)35(31,32)28-14-4-5-15-28/h10-13,17-19,21H,4-7,14-16H2,1-3H3