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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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