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

Systemtic Name: [2-(azocan-1-yl)-2-oxidanylidene-ethyl] 2-[(2-cyanophenyl)sulfonylamino]ethanoate Openeye Name: [2-(azocan-1-yl)-2-oxo-ethyl] 2-[(2-cyanophenyl)sulfonylamino]acetate CAS Name: 2-[(2-cyanophenyl)sulfonylamino]acetic acid [2-(1-azocanyl)-2-oxoethyl] ester IUPAC Name: [2-(azocan-1-yl)-2-oxoethyl] 2-[(2-cyanophenyl)sulfonylamino]acetate Traditional Name: 2-[(2-cyanophenyl)sulfonylamino]acetic acid [2-(azocan-1-yl)-2-keto-ethyl] ester Formula: C18H23N3O5S MolecularWeight: 393.45732

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CCC1)C(=O)COC(=O)CNS(=O)(=O)C2=CC=CC=C2C#N

Isomeric SMILES

C1CCCN(CCC1)C(=O)COC(=O)CNS(=O)(=O)C2=CC=CC=C2C#N

InChI

InChI=1S/C18H23N3O5S/c19-12-15-8-4-5-9-16(15)27(24,25)20-13-18(23)26-14-17(22)21-10-6-2-1-3-7-11-21/h4-5,8-9,20H,1-3,6-7,10-11,13-14H2