2-methoxy-5-[2-[(3R)-3-[[(2-phenylquinazolin-4-yl)amino]methyl]pyrrolidin-1-yl]ethyl]benzenesulfonamide

Systemtic Name: 2-methoxy-5-[2-[(3R)-3-[[(2-phenylquinazolin-4-yl)amino]methyl]pyrrolidin-1-yl]ethyl]benzenesulfonamide Openeye Name: 2-methoxy-5-[2-[(3R)-3-[[(2-phenylquinazolin-4-yl)amino]methyl]pyrrolidin-1-yl]ethyl]benzenesulfonamide CAS Name: 2-methoxy-5-[2-[(3R)-3-[[(2-phenyl-4-quinazolinyl)amino]methyl]-1-pyrrolidinyl]ethyl]benzenesulfonamide IUPAC Name: 2-methoxy-5-[2-[(3R)-3-[[(2-phenylquinazolin-4-yl)amino]methyl]pyrrolidin-1-yl]ethyl]benzenesulfonamide Traditional Name: 2-methoxy-5-[2-[(3R)-3-[[(2-phenylquinazolin-4-yl)amino]methyl]pyrrolidino]ethyl]benzenesulfonamide Formula: C28H31N5O3S MolecularWeight: 517.64244

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCN2CCC(C2)CNC3=NC(=NC4=CC=CC=C43)C5=CC=CC=C5)S(=O)(=O)N

Isomeric SMILES

COC1=C(C=C(C=C1)CCN2CC[C@@H](C2)CNC3=NC(=NC4=CC=CC=C43)C5=CC=CC=C5)S(=O)(=O)N

InChI

InChI=1S/C28H31N5O3S/c1-36-25-12-11-20(17-26(25)37(29,34)35)13-15-33-16-14-21(19-33)18-30-28-23-9-5-6-10-24(23)31-27(32-28)22-7-3-2-4-8-22/h2-12,17,21H,13-16,18-19H2,1H3,(H2,29,34,35)(H,30,31,32)/t21-/m1/s1