[1-(cyclopentylamino)-1-oxidanylidene-propan-2-yl] 3-methylsulfonylbenzoate

Systemtic Name: [1-(cyclopentylamino)-1-oxidanylidene-propan-2-yl] 3-methylsulfonylbenzoate Openeye Name: [2-(cyclopentylamino)-1-methyl-2-oxo-ethyl] 3-methylsulfonylbenzoate CAS Name: 3-methylsulfonylbenzoic acid [1-(cyclopentylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(cyclopentylamino)-1-oxopropan-2-yl] 3-methylsulfonylbenzoate Traditional Name: 3-mesylbenzoic acid [2-(cyclopentylamino)-2-keto-1-methyl-ethyl] ester Formula: C16H21NO5S MolecularWeight: 339.40664

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CCCC1)OC(=O)C2=CC(=CC=C2)S(=O)(=O)C

Isomeric SMILES

CC(C(=O)NC1CCCC1)OC(=O)C2=CC(=CC=C2)S(=O)(=O)C

InChI

InChI=1S/C16H21NO5S/c1-11(15(18)17-13-7-3-4-8-13)22-16(19)12-6-5-9-14(10-12)23(2,20)21/h5-6,9-11,13H,3-4,7-8H2,1-2H3,(H,17,18)