3-indol-1-yl-1-[2,2,4-tris(fluoranyl)-5-(phenylmethoxymethyl)-4-sulfanyl-pyrrolidin-1-yl]propan-1-one

Systemtic Name: 3-indol-1-yl-1-[2,2,4-tris(fluoranyl)-5-(phenylmethoxymethyl)-4-sulfanyl-pyrrolidin-1-yl]propan-1-one Openeye Name: 1-[5-(benzyloxymethyl)-2,2,4-trifluoro-4-sulfanyl-pyrrolidin-1-yl]-3-indol-1-yl-propan-1-one CAS Name: 3-(1-indolyl)-1-[2,2,4-trifluoro-4-mercapto-5-(phenylmethoxymethyl)-1-pyrrolidinyl]-1-propanone IUPAC Name: 3-indol-1-yl-1-[2,2,4-trifluoro-5-(phenylmethoxymethyl)-4-sulfanylpyrrolidin-1-yl]propan-1-one Traditional Name: 1-[5-(benzoxymethyl)-2,2,4-trifluoro-4-mercapto-pyrrolidino]-3-indol-1-yl-propan-1-one Formula: C23H23F3N2O2S MolecularWeight: 448.50113

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(N(C1(F)F)C(=O)CCN2C=CC3=CC=CC=C32)COCC4=CC=CC=C4)(F)S

Isomeric SMILES

C1C(C(N(C1(F)F)C(=O)CCN2C=CC3=CC=CC=C32)COCC4=CC=CC=C4)(F)S

InChI

InChI=1S/C23H23F3N2O2S/c24-22(31)16-23(25,26)28(20(22)15-30-14-17-6-2-1-3-7-17)21(29)11-13-27-12-10-18-8-4-5-9-19(18)27/h1-10,12,20,31H,11,13-16H2