ethyl 2-(furan-3-ylmethylsulfinylmethyl)-1-methyl-5-oxidanyl-4-(piperidin-1-ylmethyl)indole-3-carboxylate

Systemtic Name: ethyl 2-(furan-3-ylmethylsulfinylmethyl)-1-methyl-5-oxidanyl-4-(piperidin-1-ylmethyl)indole-3-carboxylate Openeye Name: ethyl 2-(3-furylmethylsulfinylmethyl)-5-hydroxy-1-methyl-4-(1-piperidylmethyl)indole-3-carboxylate CAS Name: 2-(3-furanylmethylsulfinylmethyl)-5-hydroxy-1-methyl-4-(1-piperidinylmethyl)-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(furan-3-ylmethylsulfinylmethyl)-5-hydroxy-1-methyl-4-(piperidin-1-ylmethyl)indole-3-carboxylate Traditional Name: 2-(3-furfurylsulfinylmethyl)-5-hydroxy-1-methyl-4-(piperidinomethyl)indole-3-carboxylic acid ethyl ester Formula: C24H30N2O5S MolecularWeight: 458.5704

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=C1C(=C(C=C2)O)CN3CCCCC3)C)CS(=O)CC4=COC=C4

Isomeric SMILES

CCOC(=O)C1=C(N(C2=C1C(=C(C=C2)O)CN3CCCCC3)C)CS(=O)CC4=COC=C4

InChI

InChI=1S/C24H30N2O5S/c1-3-31-24(28)23-20(16-32(29)15-17-9-12-30-14-17)25(2)19-7-8-21(27)18(22(19)23)13-26-10-5-4-6-11-26/h7-9,12,14,27H,3-6,10-11,13,15-16H2,1-2H3