[2-(2-methoxyethylamino)-2-oxidanylidene-ethyl] 4-(azepan-1-ylsulfonyl)benzoate

Systemtic Name: [2-(2-methoxyethylamino)-2-oxidanylidene-ethyl] 4-(azepan-1-ylsulfonyl)benzoate Openeye Name: [2-(2-methoxyethylamino)-2-oxo-ethyl] 4-(azepan-1-ylsulfonyl)benzoate CAS Name: 4-(1-azepanylsulfonyl)benzoic acid [2-(2-methoxyethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-methoxyethylamino)-2-oxoethyl] 4-(azepan-1-ylsulfonyl)benzoate Traditional Name: 4-(azepan-1-ylsulfonyl)benzoic acid [2-keto-2-(2-methoxyethylamino)ethyl] ester Formula: C18H26N2O6S MolecularWeight: 398.47384

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCCNC(=O)COC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCCCCC2

Isomeric SMILES

COCCNC(=O)COC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCCCCC2

InChI

InChI=1S/C18H26N2O6S/c1-25-13-10-19-17(21)14-26-18(22)15-6-8-16(9-7-15)27(23,24)20-11-4-2-3-5-12-20/h6-9H,2-5,10-14H2,1H3,(H,19,21)