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NFP

Summary
Name:(1E,3S)-5-phenyl-1-(phenylsulfonyl)pent-1-en-3-amine
Formula:C17 H19 N O2 S
Formal charge:0
Formula weight:301.403 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01(1E,3S)-5-phenyl-1-(phenylsulfonyl)pent-1-en-3-amine
OpenEye OEToolkits1.7.0(E,3S)-5-phenyl-1-(phenylsulfonyl)pent-1-en-3-amine

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=S(=O)(/C=C/C(N)CCc1ccccc1)c2ccccc2
SMILES_CANONICALCACTVS3.370N[C@@H](CCc1ccccc1)/C=C/[S](=O)(=O)c2ccccc2
SMILESCACTVS3.370N[CH](CCc1ccccc1)C=C[S](=O)(=O)c2ccccc2
SMILES_CANONICALOpenEye OEToolkits1.7.0c1ccc(cc1)CC[C@@H](/C=C/S(=O)(=O)c2ccccc2)N
SMILESOpenEye OEToolkits1.7.0c1ccc(cc1)CCC(C=CS(=O)(=O)c2ccccc2)N
InChIInChI1.03InChI=1S/C17H19NO2S/c18-16(12-11-15-7-3-1-4-8-15)13-14-21(19,20)17-9-5-2-6-10-17/h1-10,13-14,16H,11-12,18H2/t16-/m0/s1
InChIKeyInChI1.03ZPXIQFOUPUVVPU-INIZCTEOSA-N

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PDB entries from 2024-08-07

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