[1-(cycloheptylamino)-1-oxidanylidene-propan-2-yl] 2-chloranyl-5-methylsulfonyl-benzoate

Systemtic Name: [1-(cycloheptylamino)-1-oxidanylidene-propan-2-yl] 2-chloranyl-5-methylsulfonyl-benzoate Openeye Name: [2-(cycloheptylamino)-1-methyl-2-oxo-ethyl] 2-chloro-5-methylsulfonyl-benzoate CAS Name: 2-chloro-5-methylsulfonylbenzoic acid [1-(cycloheptylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(cycloheptylamino)-1-oxopropan-2-yl] 2-chloro-5-methylsulfonylbenzoate Traditional Name: 2-chloro-5-mesyl-benzoic acid [2-(cycloheptylamino)-2-keto-1-methyl-ethyl] ester Formula: C18H24ClNO5S MolecularWeight: 401.90486

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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