3-[(7,7-dimethyl-3-oxidanylidene-2-bicyclo[2.2.1]heptanyl)-methylsulfonyl-amino]-3H-indole-2-carboxylic acid

Systemtic Name: 3-[(7,7-dimethyl-3-oxidanylidene-2-bicyclo[2.2.1]heptanyl)-methylsulfonyl-amino]-3H-indole-2-carboxylic acid Openeye Name: 3-[(7,7-dimethyl-3-oxo-norbornan-2-yl)-methylsulfonyl-amino]-3H-indole-2-carboxylic acid CAS Name: 3-[(7,7-dimethyl-3-oxo-2-bicyclo[2.2.1]heptanyl)-methylsulfonylamino]-3H-indole-2-carboxylic acid IUPAC Name: 3-[(7,7-dimethyl-3-oxo-2-bicyclo[2.2.1]heptanyl)-methylsulfonylamino]-3H-indole-2-carboxylic acid Traditional Name: 3-[(3-keto-7,7-dimethyl-norbornan-2-yl)-mesyl-amino]-3H-indole-2-carboxylic acid Formula: C19H22N2O5S MolecularWeight: 390.45338

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C2CCC1C(=O)C2N(C3C4=CC=CC=C4N=C3C(=O)O)S(=O)(=O)C)C

Isomeric SMILES

CC1(C2CCC1C(=O)C2N(C3C4=CC=CC=C4N=C3C(=O)O)S(=O)(=O)C)C

InChI

InChI=1S/C19H22N2O5S/c1-19(2)11-8-9-12(19)17(22)16(11)21(27(3,25)26)15-10-6-4-5-7-13(10)20-14(15)18(23)24/h4-7,11-12,15-16H,8-9H2,1-3H3,(H,23,24)