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

Systemtic Name: [(2R)-1-[(3-ethanoylphenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(azepan-1-ylsulfonyl)benzoate Openeye Name: [(1R)-2-(3-acetylanilino)-1-methyl-2-oxo-ethyl] 4-(azepan-1-ylsulfonyl)benzoate CAS Name: 4-(1-azepanylsulfonyl)benzoic acid [(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl] 4-(azepan-1-ylsulfonyl)benzoate Traditional Name: 4-(azepan-1-ylsulfonyl)benzoic acid [(1R)-2-(3-acetylanilino)-2-keto-1-methyl-ethyl] ester Formula: C24H28N2O6S MolecularWeight: 472.55392

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC(=C1)C(=O)C)OC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

C[C@H](C(=O)NC1=CC=CC(=C1)C(=O)C)OC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C24H28N2O6S/c1-17(27)20-8-7-9-21(16-20)25-23(28)18(2)32-24(29)19-10-12-22(13-11-19)33(30,31)26-14-5-3-4-6-15-26/h7-13,16,18H,3-6,14-15H2,1-2H3,(H,25,28)/t18-/m1/s1