(2S)-2-(4-bromanylphenoxy)-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]propanamide

Systemtic Name: (2S)-2-(4-bromanylphenoxy)-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]propanamide Openeye Name: (2S)-2-(4-bromophenoxy)-N-[1-(p-tolylsulfonyl)-4-piperidyl]propanamide CAS Name: (2S)-2-(4-bromophenoxy)-N-[1-(4-methylphenyl)sulfonyl-4-piperidinyl]propanamide IUPAC Name: (2S)-2-(4-bromophenoxy)-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]propanamide Traditional Name: (2S)-2-(4-bromophenoxy)-N-(1-tosyl-4-piperidyl)propionamide Formula: C21H25BrN2O4S MolecularWeight: 481.4032

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)NC(=O)C(C)OC3=CC=C(C=C3)Br

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)NC(=O)[C@H](C)OC3=CC=C(C=C3)Br

InChI

InChI=1S/C21H25BrN2O4S/c1-15-3-9-20(10-4-15)29(26,27)24-13-11-18(12-14-24)23-21(25)16(2)28-19-7-5-17(22)6-8-19/h3-10,16,18H,11-14H2,1-2H3,(H,23,25)/t16-/m0/s1