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

Systemtic Name: [1-[(4-ethanoylphenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(azepan-1-ylsulfonyl)benzoate Openeye Name: [2-(4-acetylanilino)-1-methyl-2-oxo-ethyl] 4-(azepan-1-ylsulfonyl)benzoate CAS Name: 4-(1-azepanylsulfonyl)benzoic acid [1-(4-acetylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-acetylanilino)-1-oxopropan-2-yl] 4-(azepan-1-ylsulfonyl)benzoate Traditional Name: 4-(azepan-1-ylsulfonyl)benzoic acid [2-(4-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=C(C=C1)C(=O)C)OC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

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

InChI

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