methyl 4-oxidanylidene-4-[1-(phenylsulfonyl)indol-3-yl]butanoate

Systemtic Name: methyl 4-oxidanylidene-4-[1-(phenylsulfonyl)indol-3-yl]butanoate Openeye Name: methyl 4-[1-(benzenesulfonyl)indol-3-yl]-4-oxo-butanoate CAS Name: 4-[1-(benzenesulfonyl)-3-indolyl]-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[1-(benzenesulfonyl)indol-3-yl]-4-oxobutanoate Traditional Name: 4-(1-besylindol-3-yl)-4-keto-butyric acid methyl ester Formula: C19H17NO5S MolecularWeight: 371.40698

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC(=O)C1=CN(C2=CC=CC=C21)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

COC(=O)CCC(=O)C1=CN(C2=CC=CC=C21)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C19H17NO5S/c1-25-19(22)12-11-18(21)16-13-20(17-10-6-5-9-15(16)17)26(23,24)14-7-3-2-4-8-14/h2-10,13H,11-12H2,1H3