ethyl 6-bromanyl-1-cyclopropyl-4-(dimethylaminomethyl)-5-oxidanyl-2-[[4-(trifluoromethyl)phenyl]sulfinylmethyl]indole-3-carboxylate

Systemtic Name: ethyl 6-bromanyl-1-cyclopropyl-4-(dimethylaminomethyl)-5-oxidanyl-2-[[4-(trifluoromethyl)phenyl]sulfinylmethyl]indole-3-carboxylate Openeye Name: ethyl 6-bromo-1-cyclopropyl-4-(dimethylaminomethyl)-5-hydroxy-2-[[4-(trifluoromethyl)phenyl]sulfinylmethyl]indole-3-carboxylate CAS Name: 6-bromo-1-cyclopropyl-4-(dimethylaminomethyl)-5-hydroxy-2-[[4-(trifluoromethyl)phenyl]sulfinylmethyl]-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 6-bromo-1-cyclopropyl-4-(dimethylaminomethyl)-5-hydroxy-2-[[4-(trifluoromethyl)phenyl]sulfinylmethyl]indole-3-carboxylate Traditional Name: 6-bromo-1-cyclopropyl-4-(dimethylaminomethyl)-5-hydroxy-2-[[4-(trifluoromethyl)phenyl]sulfinylmethyl]indole-3-carboxylic acid ethyl ester Formula: C25H26BrF3N2O4S MolecularWeight: 587.44915

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=CC(=C(C(=C21)CN(C)C)O)Br)C3CC3)CS(=O)C4=CC=C(C=C4)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=C(N(C2=CC(=C(C(=C21)CN(C)C)O)Br)C3CC3)CS(=O)C4=CC=C(C=C4)C(F)(F)F

InChI

InChI=1S/C25H26BrF3N2O4S/c1-4-35-24(33)22-20(13-36(34)16-9-5-14(6-10-16)25(27,28)29)31(15-7-8-15)19-11-18(26)23(32)17(21(19)22)12-30(2)3/h5-6,9-11,15,32H,4,7-8,12-13H2,1-3H3