[(2R)-1-(4-ethoxyphenyl)-1-oxidanylidene-propan-2-yl] 3-(azepan-1-ylsulfonyl)benzoate

Systemtic Name: [(2R)-1-(4-ethoxyphenyl)-1-oxidanylidene-propan-2-yl] 3-(azepan-1-ylsulfonyl)benzoate Openeye Name: [(1R)-2-(4-ethoxyphenyl)-1-methyl-2-oxo-ethyl] 3-(azepan-1-ylsulfonyl)benzoate CAS Name: 3-(1-azepanylsulfonyl)benzoic acid [(2R)-1-(4-ethoxyphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(4-ethoxyphenyl)-1-oxopropan-2-yl] 3-(azepan-1-ylsulfonyl)benzoate Traditional Name: 3-(azepan-1-ylsulfonyl)benzoic acid [(1R)-2-keto-1-methyl-2-p-phenetyl-ethyl] ester Formula: C24H29NO6S MolecularWeight: 459.55516

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)C(C)OC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)[C@@H](C)OC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C24H29NO6S/c1-3-30-21-13-11-19(12-14-21)23(26)18(2)31-24(27)20-9-8-10-22(17-20)32(28,29)25-15-6-4-5-7-16-25/h8-14,17-18H,3-7,15-16H2,1-2H3/t18-/m1/s1