[(1R)-2-(diethylamino)-2-oxidanylidene-1-phenyl-ethyl] 3-(azepan-1-ylsulfonyl)benzoate

Systemtic Name: [(1R)-2-(diethylamino)-2-oxidanylidene-1-phenyl-ethyl] 3-(azepan-1-ylsulfonyl)benzoate Openeye Name: [(1R)-2-(diethylamino)-2-oxo-1-phenyl-ethyl] 3-(azepan-1-ylsulfonyl)benzoate CAS Name: 3-(1-azepanylsulfonyl)benzoic acid [(1R)-2-(diethylamino)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1R)-2-(diethylamino)-2-oxo-1-phenylethyl] 3-(azepan-1-ylsulfonyl)benzoate Traditional Name: 3-(azepan-1-ylsulfonyl)benzoic acid [(1R)-2-(diethylamino)-2-keto-1-phenyl-ethyl] ester Formula: C25H32N2O5S MolecularWeight: 472.59698

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H32N2O5S/c1-3-26(4-2)24(28)23(20-13-8-7-9-14-20)32-25(29)21-15-12-16-22(19-21)33(30,31)27-17-10-5-6-11-18-27/h7-9,12-16,19,23H,3-6,10-11,17-18H2,1-2H3/t23-/m1/s1