methyl 4-oxidanylidene-4-[2-[(phenylmethyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]butanoate

Systemtic Name: methyl 4-oxidanylidene-4-[2-[(phenylmethyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]butanoate Openeye Name: methyl 4-[2-(benzylsulfonylamino)indan-5-yl]-4-oxo-butanoate CAS Name: 4-oxo-4-[2-[(phenylmethyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]butanoic acid methyl ester IUPAC Name: methyl 4-[2-(benzylsulfonylamino)-2,3-dihydro-1H-inden-5-yl]-4-oxobutanoate Traditional Name: 4-[2-(benzylsulfonylamino)indan-5-yl]-4-keto-butyric acid methyl ester Formula: C21H23NO5S MolecularWeight: 401.47602

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC(=O)C1=CC2=C(CC(C2)NS(=O)(=O)CC3=CC=CC=C3)C=C1

Isomeric SMILES

COC(=O)CCC(=O)C1=CC2=C(CC(C2)NS(=O)(=O)CC3=CC=CC=C3)C=C1

InChI

InChI=1S/C21H23NO5S/c1-27-21(24)10-9-20(23)17-8-7-16-12-19(13-18(16)11-17)22-28(25,26)14-15-5-3-2-4-6-15/h2-8,11,19,22H,9-10,12-14H2,1H3