N-(4-bromanyl-3-methyl-phenyl)-2-[(2S)-1-(4-methylphenyl)sulfonylpiperidin-2-yl]ethanamide

Systemtic Name: N-(4-bromanyl-3-methyl-phenyl)-2-[(2S)-1-(4-methylphenyl)sulfonylpiperidin-2-yl]ethanamide Openeye Name: N-(4-bromo-3-methyl-phenyl)-2-[(2S)-1-(p-tolylsulfonyl)-2-piperidyl]acetamide CAS Name: N-(4-bromo-3-methylphenyl)-2-[(2S)-1-(4-methylphenyl)sulfonyl-2-piperidinyl]acetamide IUPAC Name: N-(4-bromo-3-methylphenyl)-2-[(2S)-1-(4-methylphenyl)sulfonylpiperidin-2-yl]acetamide Traditional Name: N-(4-bromo-3-methyl-phenyl)-2-[(2S)-1-tosyl-2-piperidyl]acetamide Formula: C21H25BrN2O3S MolecularWeight: 465.4038

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCCC2CC(=O)NC3=CC(=C(C=C3)Br)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC[C@H]2CC(=O)NC3=CC(=C(C=C3)Br)C

InChI

InChI=1S/C21H25BrN2O3S/c1-15-6-9-19(10-7-15)28(26,27)24-12-4-3-5-18(24)14-21(25)23-17-8-11-20(22)16(2)13-17/h6-11,13,18H,3-5,12,14H2,1-2H3,(H,23,25)/t18-/m0/s1