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3E7

Summary
Name:1-(naphthalen-1-ylsulfonyl)-N-[(1S)-1-phenylpropyl]-1H-indole-5-carboxamide
Formula:C28 H24 N2 O3 S
Formal charge:0
Formula weight:468.567 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.011-(naphthalen-1-ylsulfonyl)-N-[(1S)-1-phenylpropyl]-1H-indole-5-carboxamide
OpenEye OEToolkits1.7.61-naphthalen-1-ylsulfonyl-N-[(1S)-1-phenylpropyl]indole-5-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=S(=O)(c2c1ccccc1ccc2)n4c3ccc(cc3cc4)C(=O)NC(c5ccccc5)CC
InChIInChI1.03InChI=1S/C28H24N2O3S/c1-2-25(21-10-4-3-5-11-21)29-28(31)23-15-16-26-22(19-23)17-18-30(26)34(32,33)27-14-8-12-20-9-6-7-13-24(20)27/h3-19,25H,2H2,1H3,(H,29,31)/t25-/m0/s1
InChIKeyInChI1.03SEVOIRSEDVSYGP-VWLOTQADSA-N
SMILES_CANONICALCACTVS3.385CC[C@H](NC(=O)c1ccc2n(ccc2c1)[S](=O)(=O)c3cccc4ccccc34)c5ccccc5
SMILESCACTVS3.385CC[CH](NC(=O)c1ccc2n(ccc2c1)[S](=O)(=O)c3cccc4ccccc34)c5ccccc5
SMILES_CANONICALOpenEye OEToolkits1.7.6CC[C@@H](c1ccccc1)NC(=O)c2ccc3c(c2)ccn3S(=O)(=O)c4cccc5c4cccc5
SMILESOpenEye OEToolkits1.7.6CCC(c1ccccc1)NC(=O)c2ccc3c(c2)ccn3S(=O)(=O)c4cccc5c4cccc5

219140

PDB entries from 2024-05-01

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