tert-butyl 3-[[methylsulfonyl-(2-phenoxyphenyl)amino]methyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 3-[[methylsulfonyl-(2-phenoxyphenyl)amino]methyl]piperidine-1-carboxylate Openeye Name: tert-butyl 3-[(N-methylsulfonyl-2-phenoxy-anilino)methyl]piperidine-1-carboxylate CAS Name: 3-[(N-methylsulfonyl-2-phenoxyanilino)methyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[(N-methylsulfonyl-2-phenoxyanilino)methyl]piperidine-1-carboxylate Traditional Name: 3-[(N-mesyl-2-phenoxy-anilino)methyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C24H32N2O5S MolecularWeight: 460.58628

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC(C1)CN(C2=CC=CC=C2OC3=CC=CC=C3)S(=O)(=O)C

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCC(C1)CN(C2=CC=CC=C2OC3=CC=CC=C3)S(=O)(=O)C

InChI

InChI=1S/C24H32N2O5S/c1-24(2,3)31-23(27)25-16-10-11-19(17-25)18-26(32(4,28)29)21-14-8-9-15-22(21)30-20-12-6-5-7-13-20/h5-9,12-15,19H,10-11,16-18H2,1-4H3