[1-(cycloheptylamino)-1-oxidanylidene-propan-2-yl] 4-chloranyl-3-methylsulfonyl-benzoate

Systemtic Name: [1-(cycloheptylamino)-1-oxidanylidene-propan-2-yl] 4-chloranyl-3-methylsulfonyl-benzoate Openeye Name: [2-(cycloheptylamino)-1-methyl-2-oxo-ethyl] 4-chloro-3-methylsulfonyl-benzoate CAS Name: 4-chloro-3-methylsulfonylbenzoic acid [1-(cycloheptylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(cycloheptylamino)-1-oxopropan-2-yl] 4-chloro-3-methylsulfonylbenzoate Traditional Name: 4-chloro-3-mesyl-benzoic acid [2-(cycloheptylamino)-2-keto-1-methyl-ethyl] ester Formula: C18H24ClNO5S MolecularWeight: 401.90486

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CCCCCC1)OC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)C

Isomeric SMILES

CC(C(=O)NC1CCCCCC1)OC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)C

InChI

InChI=1S/C18H24ClNO5S/c1-12(17(21)20-14-7-5-3-4-6-8-14)25-18(22)13-9-10-15(19)16(11-13)26(2,23)24/h9-12,14H,3-8H2,1-2H3,(H,20,21)