3-[[4-(dimethylsulfamoyl)piperazin-1-yl]methyl]-2-phenyl-N-[(1S)-1-phenylpropyl]quinoline-4-carboxamide

Systemtic Name: 3-[[4-(dimethylsulfamoyl)piperazin-1-yl]methyl]-2-phenyl-N-[(1S)-1-phenylpropyl]quinoline-4-carboxamide Openeye Name: 3-[[4-(dimethylsulfamoyl)piperazin-1-yl]methyl]-2-phenyl-N-[(1S)-1-phenylpropyl]quinoline-4-carboxamide CAS Name: 3-[[4-(dimethylsulfamoyl)-1-piperazinyl]methyl]-2-phenyl-N-[(1S)-1-phenylpropyl]-4-quinolinecarboxamide IUPAC Name: 3-[[4-(dimethylsulfamoyl)piperazin-1-yl]methyl]-2-phenyl-N-[(1S)-1-phenylpropyl]quinoline-4-carboxamide Traditional Name: 3-[[4-(dimethylsulfamoyl)piperazino]methyl]-2-phenyl-N-[(1S)-1-phenylpropyl]cinchoninamide Formula: C32H37N5O3S MolecularWeight: 571.73288

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)NC(=O)C2=C(C(=NC3=CC=CC=C32)C4=CC=CC=C4)CN5CCN(CC5)S(=O)(=O)N(C)C

Isomeric SMILES

CC[C@@H](C1=CC=CC=C1)NC(=O)C2=C(C(=NC3=CC=CC=C32)C4=CC=CC=C4)CN5CCN(CC5)S(=O)(=O)N(C)C

InChI

InChI=1S/C32H37N5O3S/c1-4-28(24-13-7-5-8-14-24)34-32(38)30-26-17-11-12-18-29(26)33-31(25-15-9-6-10-16-25)27(30)23-36-19-21-37(22-20-36)41(39,40)35(2)3/h5-18,28H,4,19-23H2,1-3H3,(H,34,38)/t28-/m0/s1