[2-(azepan-1-yl)-2-oxidanylidene-ethyl] 2-[(2-fluorophenyl)sulfonylamino]-3-phenyl-propanoate

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] 2-[(2-fluorophenyl)sulfonylamino]-3-phenyl-propanoate Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl] 2-[(2-fluorophenyl)sulfonylamino]-3-phenyl-propanoate CAS Name: 2-[(2-fluorophenyl)sulfonylamino]-3-phenylpropanoic acid [2-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl] 2-[(2-fluorophenyl)sulfonylamino]-3-phenylpropanoate Traditional Name: 2-[(2-fluorophenyl)sulfonylamino]-3-phenyl-propionic acid [2-(azepan-1-yl)-2-keto-ethyl] ester Formula: C23H27FN2O5S MolecularWeight: 462.534283

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)COC(=O)C(CC2=CC=CC=C2)NS(=O)(=O)C3=CC=CC=C3F

Isomeric SMILES

C1CCCN(CC1)C(=O)COC(=O)C(CC2=CC=CC=C2)NS(=O)(=O)C3=CC=CC=C3F

InChI

InChI=1S/C23H27FN2O5S/c24-19-12-6-7-13-21(19)32(29,30)25-20(16-18-10-4-3-5-11-18)23(28)31-17-22(27)26-14-8-1-2-9-15-26/h3-7,10-13,20,25H,1-2,8-9,14-17H2