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

Systemtic Name: 3-[(ethylsulfonylamino)methyl]-2-phenyl-N-[(1S)-1-phenylpropyl]quinoline-4-carboxamide Openeye Name: 3-[(ethylsulfonylamino)methyl]-2-phenyl-N-[(1S)-1-phenylpropyl]quinoline-4-carboxamide CAS Name: 3-[(ethylsulfonylamino)methyl]-2-phenyl-N-[(1S)-1-phenylpropyl]-4-quinolinecarboxamide IUPAC Name: 3-[(ethylsulfonylamino)methyl]-2-phenyl-N-[(1S)-1-phenylpropyl]quinoline-4-carboxamide Traditional Name: 3-[(esylamino)methyl]-2-phenyl-N-[(1S)-1-phenylpropyl]cinchoninamide Formula: C28H29N3O3S MolecularWeight: 487.61316

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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)CNS(=O)(=O)CC

Isomeric SMILES

CC[C@@H](C1=CC=CC=C1)NC(=O)C2=C(C(=NC3=CC=CC=C32)C4=CC=CC=C4)CNS(=O)(=O)CC

InChI

InChI=1S/C28H29N3O3S/c1-3-24(20-13-7-5-8-14-20)31-28(32)26-22-17-11-12-18-25(22)30-27(21-15-9-6-10-16-21)23(26)19-29-35(33,34)4-2/h5-18,24,29H,3-4,19H2,1-2H3,(H,31,32)/t24-/m0/s1