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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)OC)C(=O)C1=CC2=C(C=C1)C(CC2)NS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC(CC(=O)OC)C(=O)C1=CC2=C(C=C1)C(CC2)NS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H23NO5S/c1-14(12-20(23)27-2)21(24)16-8-10-18-15(13-16)9-11-19(18)22-28(25,26)17-6-4-3-5-7-17/h3-8,10,13-14,19,22H,9,11-12H2,1-2H3