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

Systemtic Name: 4-bromanyl-N-[(2S)-2-(4-methylphenyl)sulfonyl-2-pyridin-3-yl-ethyl]benzamide Openeye Name: 4-bromo-N-[(2S)-2-(p-tolylsulfonyl)-2-(3-pyridyl)ethyl]benzamide CAS Name: 4-bromo-N-[(2S)-2-(4-methylphenyl)sulfonyl-2-(3-pyridinyl)ethyl]benzamide IUPAC Name: 4-bromo-N-[(2S)-2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]benzamide Traditional Name: 4-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=C(C=C2)Br)C3=CN=CC=C3

Isomeric SMILES

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

InChI

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