[2-[(2,6-diethylphenyl)amino]-2-oxidanylidene-ethyl] 2-piperidin-1-ylsulfonylbenzoate

Systemtic Name: [2-[(2,6-diethylphenyl)amino]-2-oxidanylidene-ethyl] 2-piperidin-1-ylsulfonylbenzoate Openeye Name: [2-(2,6-diethylanilino)-2-oxo-ethyl] 2-(1-piperidylsulfonyl)benzoate CAS Name: 2-(1-piperidinylsulfonyl)benzoic acid [2-(2,6-diethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,6-diethylanilino)-2-oxoethyl] 2-piperidin-1-ylsulfonylbenzoate Traditional Name: 2-piperidinosulfonylbenzoic acid [2-(2,6-diethylanilino)-2-keto-ethyl] ester Formula: C24H30N2O5S MolecularWeight: 458.5704

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=O)COC(=O)C2=CC=CC=C2S(=O)(=O)N3CCCCC3

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=O)COC(=O)C2=CC=CC=C2S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C24H30N2O5S/c1-3-18-11-10-12-19(4-2)23(18)25-22(27)17-31-24(28)20-13-6-7-14-21(20)32(29,30)26-15-8-5-9-16-26/h6-7,10-14H,3-5,8-9,15-17H2,1-2H3,(H,25,27)