[2-(cycloheptylamino)-2-oxidanylidene-ethyl] (2S)-2-[(4-fluorophenyl)sulfonylamino]propanoate

Systemtic Name: [2-(cycloheptylamino)-2-oxidanylidene-ethyl] (2S)-2-[(4-fluorophenyl)sulfonylamino]propanoate Openeye Name: [2-(cycloheptylamino)-2-oxo-ethyl] (2S)-2-[(4-fluorophenyl)sulfonylamino]propanoate CAS Name: (2S)-2-[(4-fluorophenyl)sulfonylamino]propanoic acid [2-(cycloheptylamino)-2-oxoethyl] ester IUPAC Name: [2-(cycloheptylamino)-2-oxoethyl] (2S)-2-[(4-fluorophenyl)sulfonylamino]propanoate Traditional Name: (2S)-2-[(4-fluorophenyl)sulfonylamino]propionic acid [2-(cycloheptylamino)-2-keto-ethyl] ester Formula: C18H25FN2O5S MolecularWeight: 400.464903

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC(=O)NC1CCCCCC1)NS(=O)(=O)C2=CC=C(C=C2)F

Isomeric SMILES

C[C@@H](C(=O)OCC(=O)NC1CCCCCC1)NS(=O)(=O)C2=CC=C(C=C2)F

InChI

InChI=1S/C18H25FN2O5S/c1-13(21-27(24,25)16-10-8-14(19)9-11-16)18(23)26-12-17(22)20-15-6-4-2-3-5-7-15/h8-11,13,15,21H,2-7,12H2,1H3,(H,20,22)/t13-/m0/s1