[2-[[4-(4-ethylpiperazin-1-yl)phenyl]amino]-2-oxidanylidene-ethyl] 1-methylsulfonylpiperidine-4-carboxylate

Systemtic Name: [2-[[4-(4-ethylpiperazin-1-yl)phenyl]amino]-2-oxidanylidene-ethyl] 1-methylsulfonylpiperidine-4-carboxylate Openeye Name: [2-[4-(4-ethylpiperazin-1-yl)anilino]-2-oxo-ethyl] 1-methylsulfonylpiperidine-4-carboxylate CAS Name: 1-methylsulfonyl-4-piperidinecarboxylic acid [2-[4-(4-ethyl-1-piperazinyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-(4-ethylpiperazin-1-yl)anilino]-2-oxoethyl] 1-methylsulfonylpiperidine-4-carboxylate Traditional Name: 1-mesylisonipecotic acid [2-[4-(4-ethylpiperazino)anilino]-2-keto-ethyl] ester Formula: C21H32N4O5S MolecularWeight: 452.56758

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=CC=C(C=C2)NC(=O)COC(=O)C3CCN(CC3)S(=O)(=O)C

Isomeric SMILES

CCN1CCN(CC1)C2=CC=C(C=C2)NC(=O)COC(=O)C3CCN(CC3)S(=O)(=O)C

InChI

InChI=1S/C21H32N4O5S/c1-3-23-12-14-24(15-13-23)19-6-4-18(5-7-19)22-20(26)16-30-21(27)17-8-10-25(11-9-17)31(2,28)29/h4-7,17H,3,8-16H2,1-2H3,(H,22,26)