[2-(azocan-1-yl)-2-oxidanylidene-ethyl] 3-(phenylsulfonylamino)propanoate

Systemtic Name: [2-(azocan-1-yl)-2-oxidanylidene-ethyl] 3-(phenylsulfonylamino)propanoate Openeye Name: [2-(azocan-1-yl)-2-oxo-ethyl] 3-(benzenesulfonamido)propanoate CAS Name: 3-(benzenesulfonamido)propanoic acid [2-(1-azocanyl)-2-oxoethyl] ester IUPAC Name: [2-(azocan-1-yl)-2-oxoethyl] 3-(benzenesulfonamido)propanoate Traditional Name: 3-(benzenesulfonamido)propionic acid [2-(azocan-1-yl)-2-keto-ethyl] ester Formula: C18H26N2O5S MolecularWeight: 382.47444

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CCC1)C(=O)COC(=O)CCNS(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

C1CCCN(CCC1)C(=O)COC(=O)CCNS(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C18H26N2O5S/c21-17(20-13-7-2-1-3-8-14-20)15-25-18(22)11-12-19-26(23,24)16-9-5-4-6-10-16/h4-6,9-10,19H,1-3,7-8,11-15H2