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

Systemtic Name: 2-bromanyl-N-[(2S)-2-(4-methylphenyl)sulfonyl-2-pyridin-3-yl-ethyl]benzamide Openeye Name: 2-bromo-N-[(2S)-2-(p-tolylsulfonyl)-2-(3-pyridyl)ethyl]benzamide CAS Name: 2-bromo-N-[(2S)-2-(4-methylphenyl)sulfonyl-2-(3-pyridinyl)ethyl]benzamide IUPAC Name: 2-bromo-N-[(2S)-2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]benzamide Traditional Name: 2-bromo-N-[(2S)-2-(3-pyridyl)-2-tosyl-ethyl]benzamide Formula: C21H19BrN2O3S MolecularWeight: 459.35616

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C(CNC(=O)C2=CC=CC=C2Br)C3=CN=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[C@H](CNC(=O)C2=CC=CC=C2Br)C3=CN=CC=C3

InChI

InChI=1S/C21H19BrN2O3S/c1-15-8-10-17(11-9-15)28(26,27)20(16-5-4-12-23-13-16)14-24-21(25)18-6-2-3-7-19(18)22/h2-13,20H,14H2,1H3,(H,24,25)/t20-/m1/s1