2-chloranyl-5-[4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxidanylidene-ethyl]piperazin-1-yl]sulfonyl-benzoic acid

Systemtic Name: 2-chloranyl-5-[4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxidanylidene-ethyl]piperazin-1-yl]sulfonyl-benzoic acid Openeye Name: 2-chloro-5-[4-[2-(3,5-dimethyl-1-piperidyl)-2-oxo-ethyl]piperazin-1-yl]sulfonyl-benzoic acid CAS Name: 2-chloro-5-[[4-[2-(3,5-dimethyl-1-piperidinyl)-2-oxoethyl]-1-piperazinyl]sulfonyl]benzoic acid IUPAC Name: 2-chloro-5-[4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]sulfonylbenzoic acid Traditional Name: 2-chloro-5-[4-[2-(3,5-dimethylpiperidino)-2-keto-ethyl]piperazino]sulfonyl-benzoic acid Formula: C20H28ClN3O5S MolecularWeight: 457.97142

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C(=O)CN2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)Cl)C(=O)O)C

Isomeric SMILES

CC1CC(CN(C1)C(=O)CN2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)Cl)C(=O)O)C

InChI

InChI=1S/C20H28ClN3O5S/c1-14-9-15(2)12-23(11-14)19(25)13-22-5-7-24(8-6-22)30(28,29)16-3-4-18(21)17(10-16)20(26)27/h3-4,10,14-15H,5-9,11-13H2,1-2H3,(H,26,27)