[2-[[2-(dimethylamino)-2-oxidanylidene-ethyl]amino]-2-oxidanylidene-ethyl] 4-piperidin-1-ylsulfonylbenzoate

Systemtic Name: [2-[[2-(dimethylamino)-2-oxidanylidene-ethyl]amino]-2-oxidanylidene-ethyl] 4-piperidin-1-ylsulfonylbenzoate Openeye Name: [2-[[2-(dimethylamino)-2-oxo-ethyl]amino]-2-oxo-ethyl] 4-(1-piperidylsulfonyl)benzoate CAS Name: 4-(1-piperidinylsulfonyl)benzoic acid [2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] 4-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-piperidinosulfonylbenzoic acid [2-[[2-(dimethylamino)-2-keto-ethyl]amino]-2-keto-ethyl] ester Formula: C18H25N3O6S MolecularWeight: 411.4726

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)CNC(=O)COC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCCCC2

Isomeric SMILES

CN(C)C(=O)CNC(=O)COC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCCCC2

InChI

InChI=1S/C18H25N3O6S/c1-20(2)17(23)12-19-16(22)13-27-18(24)14-6-8-15(9-7-14)28(25,26)21-10-4-3-5-11-21/h6-9H,3-5,10-13H2,1-2H3,(H,19,22)