2-(3,3-dimethyl-5-methylsulfonyl-2-oxidanylidene-indol-1-yl)ethanal

Systemtic Name: 2-(3,3-dimethyl-5-methylsulfonyl-2-oxidanylidene-indol-1-yl)ethanal Openeye Name: 2-(3,3-dimethyl-5-methylsulfonyl-2-oxo-indolin-1-yl)acetaldehyde CAS Name: 2-(3,3-dimethyl-5-methylsulfonyl-2-oxo-1-indolyl)acetaldehyde IUPAC Name: 2-(3,3-dimethyl-5-methylsulfonyl-2-oxoindol-1-yl)acetaldehyde Traditional Name: 2-(2-keto-5-mesyl-3,3-dimethyl-indolin-1-yl)acetaldehyde Formula: C13H15NO4S MolecularWeight: 281.3275

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=C(C=CC(=C2)S(=O)(=O)C)N(C1=O)CC=O)C

Isomeric SMILES

CC1(C2=C(C=CC(=C2)S(=O)(=O)C)N(C1=O)CC=O)C

InChI

InChI=1S/C13H15NO4S/c1-13(2)10-8-9(19(3,17)18)4-5-11(10)14(6-7-15)12(13)16/h4-5,7-8H,6H2,1-3H3