N-[3-[(4-cyanophenyl)carbonylamino]propyl]-1-[3-[(2,4-dimethylquinolin-8-yl)oxymethyl]-2,4-dimethyl-phenyl]sulfonyl-pyrrolidine-2-carboxamide

Systemtic Name: N-[3-[(4-cyanophenyl)carbonylamino]propyl]-1-[3-[(2,4-dimethylquinolin-8-yl)oxymethyl]-2,4-dimethyl-phenyl]sulfonyl-pyrrolidine-2-carboxamide Openeye Name: N-[3-[(4-cyanobenzoyl)amino]propyl]-1-[3-[(2,4-dimethyl-8-quinolyl)oxymethyl]-2,4-dimethyl-phenyl]sulfonyl-pyrrolidine-2-carboxamide CAS Name: N-[3-[[(4-cyanophenyl)-oxomethyl]amino]propyl]-1-[3-[(2,4-dimethyl-8-quinolinyl)oxymethyl]-2,4-dimethylphenyl]sulfonyl-2-pyrrolidinecarboxamide IUPAC Name: N-[3-[(4-cyanobenzoyl)amino]propyl]-1-[3-[(2,4-dimethylquinolin-8-yl)oxymethyl]-2,4-dimethylphenyl]sulfonylpyrrolidine-2-carboxamide Traditional Name: N-[3-[(4-cyanobenzoyl)amino]propyl]-1-[3-[(2,4-dimethyl-8-quinolyl)oxymethyl]-2,4-dimethyl-phenyl]sulfonyl-pyrrolidine-2-carboxamide Formula: C36H39N5O5S MolecularWeight: 653.79036

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)S(=O)(=O)N2CCCC2C(=O)NCCCNC(=O)C3=CC=C(C=C3)C#N)C)COC4=CC=CC5=C4N=C(C=C5C)C

Isomeric SMILES

CC1=C(C(=C(C=C1)S(=O)(=O)N2CCCC2C(=O)NCCCNC(=O)C3=CC=C(C=C3)C#N)C)COC4=CC=CC5=C4N=C(C=C5C)C

InChI

InChI=1S/C36H39N5O5S/c1-23-11-16-33(26(4)30(23)22-46-32-10-5-8-29-24(2)20-25(3)40-34(29)32)47(44,45)41-19-6-9-31(41)36(43)39-18-7-17-38-35(42)28-14-12-27(21-37)13-15-28/h5,8,10-16,20,31H,6-7,9,17-19,22H2,1-4H3,(H,38,42)(H,39,43)