[2-(azepan-1-yl)-2-oxidanylidene-ethyl] 2-[(4-cyanophenyl)sulfonylamino]ethanoate

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] 2-[(4-cyanophenyl)sulfonylamino]ethanoate Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl] 2-[(4-cyanophenyl)sulfonylamino]acetate CAS Name: 2-[(4-cyanophenyl)sulfonylamino]acetic acid [2-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl] 2-[(4-cyanophenyl)sulfonylamino]acetate Traditional Name: 2-[(4-cyanophenyl)sulfonylamino]acetic acid [2-(azepan-1-yl)-2-keto-ethyl] ester Formula: C17H21N3O5S MolecularWeight: 379.43074

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)COC(=O)CNS(=O)(=O)C2=CC=C(C=C2)C#N

Isomeric SMILES

C1CCCN(CC1)C(=O)COC(=O)CNS(=O)(=O)C2=CC=C(C=C2)C#N

InChI

InChI=1S/C17H21N3O5S/c18-11-14-5-7-15(8-6-14)26(23,24)19-12-17(22)25-13-16(21)20-9-3-1-2-4-10-20/h5-8,19H,1-4,9-10,12-13H2