tert-butyl 3-[(4-pyridin-3-ylphenyl)methyl-[4-(trifluoromethyl)phenyl]sulfonyl-amino]piperidine-1-carboxylate

Systemtic Name: tert-butyl 3-[(4-pyridin-3-ylphenyl)methyl-[4-(trifluoromethyl)phenyl]sulfonyl-amino]piperidine-1-carboxylate Openeye Name: tert-butyl 3-[[4-(3-pyridyl)phenyl]methyl-[4-(trifluoromethyl)phenyl]sulfonyl-amino]piperidine-1-carboxylate CAS Name: 3-[[4-(3-pyridinyl)phenyl]methyl-[4-(trifluoromethyl)phenyl]sulfonylamino]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[(4-pyridin-3-ylphenyl)methyl-[4-(trifluoromethyl)phenyl]sulfonylamino]piperidine-1-carboxylate Traditional Name: 3-[[4-(3-pyridyl)benzyl]-[4-(trifluoromethyl)phenyl]sulfonyl-amino]piperidine-1-carboxylic acid tert-butyl ester Formula: C29H32F3N3O4S MolecularWeight: 575.64229

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC(C1)N(CC2=CC=C(C=C2)C3=CN=CC=C3)S(=O)(=O)C4=CC=C(C=C4)C(F)(F)F

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCC(C1)N(CC2=CC=C(C=C2)C3=CN=CC=C3)S(=O)(=O)C4=CC=C(C=C4)C(F)(F)F

InChI

InChI=1S/C29H32F3N3O4S/c1-28(2,3)39-27(36)34-17-5-7-25(20-34)35(40(37,38)26-14-12-24(13-15-26)29(30,31)32)19-21-8-10-22(11-9-21)23-6-4-16-33-18-23/h4,6,8-16,18,25H,5,7,17,19-20H2,1-3H3