[2-(azepan-1-yl)-2-oxidanylidene-ethyl] 3-(naphthalen-2-ylsulfonylamino)propanoate

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] 3-(naphthalen-2-ylsulfonylamino)propanoate Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl] 3-(2-naphthylsulfonylamino)propanoate CAS Name: 3-(2-naphthalenylsulfonylamino)propanoic acid [2-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl] 3-(naphthalen-2-ylsulfonylamino)propanoate Traditional Name: 3-(2-naphthylsulfonylamino)propionic acid [2-(azepan-1-yl)-2-keto-ethyl] ester Formula: C21H26N2O5S MolecularWeight: 418.50654

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)COC(=O)CCNS(=O)(=O)C2=CC3=CC=CC=C3C=C2

Isomeric SMILES

C1CCCN(CC1)C(=O)COC(=O)CCNS(=O)(=O)C2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C21H26N2O5S/c24-20(23-13-5-1-2-6-14-23)16-28-21(25)11-12-22-29(26,27)19-10-9-17-7-3-4-8-18(17)15-19/h3-4,7-10,15,22H,1-2,5-6,11-14,16H2