[2-[(3S)-3-methylpiperidin-1-yl]-2-oxidanylidene-ethyl] 4-(2-cyanoethylsulfamoyl)benzoate

Systemtic Name: [2-[(3S)-3-methylpiperidin-1-yl]-2-oxidanylidene-ethyl] 4-(2-cyanoethylsulfamoyl)benzoate Openeye Name: [2-[(3S)-3-methyl-1-piperidyl]-2-oxo-ethyl] 4-(2-cyanoethylsulfamoyl)benzoate CAS Name: 4-(2-cyanoethylsulfamoyl)benzoic acid [2-[(3S)-3-methyl-1-piperidinyl]-2-oxoethyl] ester IUPAC Name: [2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl] 4-(2-cyanoethylsulfamoyl)benzoate Traditional Name: 4-(2-cyanoethylsulfamoyl)benzoic acid [2-keto-2-[(3S)-3-methylpiperidino]ethyl] ester Formula: C18H23N3O5S MolecularWeight: 393.45732

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C(=O)COC(=O)C2=CC=C(C=C2)S(=O)(=O)NCCC#N

Isomeric SMILES

C[C@H]1CCCN(C1)C(=O)COC(=O)C2=CC=C(C=C2)S(=O)(=O)NCCC#N

InChI

InChI=1S/C18H23N3O5S/c1-14-4-2-11-21(12-14)17(22)13-26-18(23)15-5-7-16(8-6-15)27(24,25)20-10-3-9-19/h5-8,14,20H,2-4,10-13H2,1H3/t14-/m0/s1