(2-naphthalen-1-yl-2-oxidanylidene-ethyl) 4-(azepan-1-ylsulfonyl)benzoate

Systemtic Name: (2-naphthalen-1-yl-2-oxidanylidene-ethyl) 4-(azepan-1-ylsulfonyl)benzoate Openeye Name: [2-(1-naphthyl)-2-oxo-ethyl] 4-(azepan-1-ylsulfonyl)benzoate CAS Name: 4-(1-azepanylsulfonyl)benzoic acid [2-(1-naphthalenyl)-2-oxoethyl] ester IUPAC Name: (2-naphthalen-1-yl-2-oxoethyl) 4-(azepan-1-ylsulfonyl)benzoate Traditional Name: 4-(azepan-1-ylsulfonyl)benzoic acid [2-keto-2-(1-naphthyl)ethyl] ester Formula: C25H25NO5S MolecularWeight: 451.5347

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC(=O)C3=CC=CC4=CC=CC=C43

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC(=O)C3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C25H25NO5S/c27-24(23-11-7-9-19-8-3-4-10-22(19)23)18-31-25(28)20-12-14-21(15-13-20)32(29,30)26-16-5-1-2-6-17-26/h3-4,7-15H,1-2,5-6,16-18H2