4-tert-butyl-N-[(2S)-2-(4-methylphenyl)sulfonyl-2-pyridin-3-yl-ethyl]benzamide

Systemtic Name: 4-tert-butyl-N-[(2S)-2-(4-methylphenyl)sulfonyl-2-pyridin-3-yl-ethyl]benzamide Openeye Name: 4-tert-butyl-N-[(2S)-2-(p-tolylsulfonyl)-2-(3-pyridyl)ethyl]benzamide CAS Name: 4-tert-butyl-N-[(2S)-2-(4-methylphenyl)sulfonyl-2-(3-pyridinyl)ethyl]benzamide IUPAC Name: 4-tert-butyl-N-[(2S)-2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]benzamide Traditional Name: 4-tert-butyl-N-[(2S)-2-(3-pyridyl)-2-tosyl-ethyl]benzamide Formula: C25H28N2O3S MolecularWeight: 436.56642

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C(CNC(=O)C2=CC=C(C=C2)C(C)(C)C)C3=CN=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[C@H](CNC(=O)C2=CC=C(C=C2)C(C)(C)C)C3=CN=CC=C3

InChI

InChI=1S/C25H28N2O3S/c1-18-7-13-22(14-8-18)31(29,30)23(20-6-5-15-26-16-20)17-27-24(28)19-9-11-21(12-10-19)25(2,3)4/h5-16,23H,17H2,1-4H3,(H,27,28)/t23-/m1/s1