O1-tert-butyl O3-methyl 2-phenyl-3-(3-phenyl-1-sulfooxy-propyl)piperidine-1,3-dicarboxylate

Systemtic Name: O1-tert-butyl O3-methyl 2-phenyl-3-(3-phenyl-1-sulfooxy-propyl)piperidine-1,3-dicarboxylate Openeye Name: O1-tert-butyl O3-methyl 2-phenyl-3-(3-phenyl-1-sulfooxy-propyl)piperidine-1,3-dicarboxylate CAS Name: 2-phenyl-3-(3-phenyl-1-sulfooxypropyl)piperidine-1,3-dicarboxylic acid O1-tert-butyl ester O3-methyl ester IUPAC Name: 1-O-tert-butyl 3-O-methyl 2-phenyl-3-(3-phenyl-1-sulfooxypropyl)piperidine-1,3-dicarboxylate Traditional Name: 2-phenyl-3-(3-phenyl-1-sulfoxy-propyl)piperidine-1,3-dicarboxylic acid O1-tert-butyl ester O3-methyl ester Formula: C27H35NO8S MolecularWeight: 533.6337

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC(C1C2=CC=CC=C2)(C(CCC3=CC=CC=C3)OS(=O)(=O)O)C(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCC(C1C2=CC=CC=C2)(C(CCC3=CC=CC=C3)OS(=O)(=O)O)C(=O)OC

InChI

InChI=1S/C27H35NO8S/c1-26(2,3)35-25(30)28-19-11-18-27(24(29)34-4,23(28)21-14-9-6-10-15-21)22(36-37(31,32)33)17-16-20-12-7-5-8-13-20/h5-10,12-15,22-23H,11,16-19H2,1-4H3,(H,31,32,33)